prompt string | completion string | split string | pair_id string | ranking_query_id string | ranking_member_index int64 | ranking_candidate_row_count int64 | ranking_candidate_parent_count int64 | retrieval_parent_rank int64 | retrieval_parent_context_index int64 | retrieval_parent_context_count int64 | task_id string | source_id string | retrieval_strategy string | query_record_id string | retrieval_record_id string | query_benchmark_row_id string | retrieval_benchmark_row_id string | query_molecule_identity_key string | retrieval_molecule_identity_key string | query_smiles string | retrieval_smiles string | query_condition_group string | retrieval_condition_group string | query_condition_scope string | retrieval_condition_scope string | query_condition_atoms list | retrieval_condition_atoms list | candidate_context_relation string | query_source_record_count int64 | retrieval_source_record_count int64 | query_agreement_fraction float64 | retrieval_agreement_fraction float64 | query_gold_Y int64 | retrieval_gold_Y int64 | ranking_balance_label string | query_geometry_value float64 | retrieval_geometry_value float64 | absolute_geometry_difference float64 | calibration_sample_standard_deviation float64 | target_distribution dict | canonical_endpoint_key string | assay_concept string | measurement_kind string | metadata dict | absolute_canonical_value_difference float64 | standardized_canonical_value_difference float64 | sd_logistic_similarity float64 | target_train_sample_standard_deviation float64 | target_a float64 | target_b float64 | label_mode string | binary_label int64 | is_decisive bool | morgan_tanimoto_similarity float64 | graph_a_position int64 | graph_b_position int64 | graph_offset int64 | representation string | pair_bucket_key string | query_parent_id string | retrieval_parent_id string | query_scaffold string | retrieval_scaffold string | query_evidence dict | retrieval_evidence dict | bucket_total_record_count int64 | bucket_train_record_count int64 | bucket_train_parent_count int64 | evaluation_regime string | calibration_scope string | logit_geometry_transform string | query_source_payload_json string | retrieval_source_payload_json string | level string | level_family string | query_source_row_uid string | retrieval_source_row_uid string | upstream_pair_bucket_key string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>[Cl-].[Cl-].[Mn+2]</SMILES>
- Bioavailability report type: absolute
- Comparator: iv
- Dose: 6 mg/kg
- Extra details: Bioavailability was estimated from the ratio of AUCpo/AUCiv... | (A) | train | 498ac2640a93e03a68a982fa7cdcec0dfa07874bb4821e53df07f5ef9cea1223 | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:afb471d30bb45990f42a3d523c99237e6ef9a9cfcad420930eaf07125d6ed43e | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:afb471d30bb45990f42a3d523c99237e6ef9a9cfcad420930eaf07125d6ed43e | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | WAEMQWOKJMHJLA-UHFFFAOYSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | [Cl-].[Cl-].[Mn+2] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Comparator=iv",
"Dose=6 mg/kg",
"Molecule name=Manganese chloride",
"Oral exposure mode=oral gavage",
"Species or population=male Sprague-Dawley rats"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 13.2 | 10.2 | 33.996086 | {
"nontransfer": 0.2690093346700442,
"transfer": 0.7309906653299558
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 10.2 | 0.300035 | 0.730991 | 33.996086 | 0.730991 | 0.269009 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | WAEMQWOKJMHJLA-UHFFFAOYSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | parent:WAEMQWOKJMHJLA-UHFFFAOYSA-N | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "13.2%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 13.2,
"aggregate_max": 13.2,
"aggregate_q1": 13.2,
"aggregate_q3": 13.... | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":"iv","dose":"6 mg/kg","extra_details":"Bioavailability was estimated from the ratio of AUCpo/AUCiv; the value is also reported as 13.19% in the toxicokinetic parameters table (n = 4 for oral dose studies).","measurement_text":"13.2%","molecule_name":"Manganese chlo... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_2b808d96615f431ca78955c01616d1a9 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3Cl)CC2)C1</SMILES>
- Bioavailability report type: absolute
- Comparator: vs IV
- Dose: 100 mg/kg
- Extra details: ... | (A) | train | eef1a5f65082d76407589afbb3dc3387ef2ba96b50851ca0dc36c845d6e1b9dd | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:9969e4ca7332e51628866d0a66fb7391664a64650c48c02f257edf3c5dee14e7 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:9969e4ca7332e51628866d0a66fb7391664a64650c48c02f257edf3c5dee14e7 | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | HTXMSBSZASVVFP-OAQYLSRUSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3Cl)CC2)C1 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=100 mg/kg",
"Molecule name=YJC-10592",
"Species or population=Sprague-Dawley rats"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 2.55 | 0.45 | 33.996086 | {
"nontransfer": 0.02047963960645538,
"transfer": 0.9795203603935446
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 0.45 | 0.013237 | 0.97952 | 33.996086 | 0.97952 | 0.02048 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0.123894 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | HTXMSBSZASVVFP-OAQYLSRUSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | O=C(CNC(=O)c1ccccc1)NC1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "2.55%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2.55,
"aggregate_max": 2.55,
"aggregate_q1": 2.55,
"aggregate_q3": 2.5... | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"100 mg/kg","extra_details":"The F value was determined using the AUC for a 10 mg/kg intravenous dose.","measurement_text":"2.55%","molecule_name":"YJC-10592","oral_exposure_mode":null,"pmid":"27138286","qualifying_conditions":null,"smiles":"O=C(CNC(... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_3c8ff7dfa8ba45ce88ce6cde5c9b5e8f | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]... | (A) | train | 862c89c2cea60acb5551bbccf3e7f77066368f52be5d1bd0c1441f4e4510a738 | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:d1f6b48b45e6df2b5659e81b95595931abbec8b3ae48ad0983b10d74bc7b5abd | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:d1f6b48b45e6df2b5659e81b95595931abbec8b3ae48ad0983b10d74bc7b5abd | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | FVFSMBDVZVUETN-BQAOMNQWSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=10 mg/kg",
"Molecule name=AST III",
"Oral exposure mode=oral administration",
"Species or population=rats"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 4.15 | 1.15 | 33.996086 | {
"nontransfer": 0.02504478865239035,
"transfer": 0.9749552113476097
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 1.15 | 0.033827 | 0.974955 | 33.996086 | 0.974955 | 0.025045 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0.060606 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | FVFSMBDVZVUETN-BQAOMNQWSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | C1CCC(OC2CCCOC2OC2CCC34CC35CCC3C(C6CCCO6)CCC3C5CCC4C2)OC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "4.15 ± 0.67%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 4.15,
"aggregate_max": 4.15,
"aggregate_q1": 4.15,
"aggregate_q... | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"10 mg/kg","extra_details":"The result suggests poor absorption and/or strong metabolism in vivo.","measurement_text":"4.15 ± 0.67%","molecule_name":"AST III","oral_exposure_mode":"oral administration","pmid":"26031660","qualifying_conditions":null,"... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_bc40f0ffc58a4863b0c6fbe9398da0b5 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>O=C(/C=C/c1ccc(O)c(O)c1/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O</SMILES>
- Bioavailability report type: absolute
- Comparator: vs i.v. (50 µg/kg)
- Dose: 10 mg/kg
- Ext... | (A) | train | 044d19f05474f6926fa92d456df28650113440f601790be8d149dd37e973ecab | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:d8a14078aa09440a216bbbe0a3d8ea0010c2534498e913fbc0b9227207ff5688 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:d8a14078aa09440a216bbbe0a3d8ea0010c2534498e913fbc0b9227207ff5688 | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | YMGFTDKNIWPMGF-UCPJVGPRSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | O=C(/C=C/c1ccc(O)c(O)c1/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Comparator=vs i.v. (50 µg/kg)",
"Dose=10 mg/kg",
"Molecule name=Sal A",
"Oral exposure mode=oral",
"Species or population=rats"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 0.41 | 2.59 | 33.996086 | {
"nontransfer": 0.03775513030356381,
"transfer": 0.9622448696964362
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 2.59 | 0.076185 | 0.962245 | 33.996086 | 0.962245 | 0.037755 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0.087379 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | YMGFTDKNIWPMGF-UCPJVGPRSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | O=C(C=Cc1ccccc1C=Cc1ccccc1)OCCc1ccccc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.41%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.41,
"aggregate_max": 0.41,
"aggregate_q1": 0.41,
"aggregate_q3": 0.4... | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":"vs i.v. (50 µg/kg)","dose":"10 mg/kg","extra_details":"Sample size n=12.","measurement_text":"0.41%","molecule_name":"Sal A","oral_exposure_mode":"oral","pmid":"30122142","qualifying_conditions":null,"smiles":"O=C(/C=C/c1ccc(O)c(O)c1/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1c... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_653b8849e73e4d61bba7263030a7e1b7 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H](CO)O[C@H]1O</SMILES>
- Bioavailability report type: absolute
- Comparator: vs IV
- Dose: 30 mg/kg
- Extr... | (A) | train | d0e94ef0aacb81dcb47b59e17684e469726abd9437b64cca889c578996098147 | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:dbbd4b9ca3fe9b077ce99440a4d80fea8cd5422af94b6195d968bad6fe8b5468 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:dbbd4b9ca3fe9b077ce99440a4d80fea8cd5422af94b6195d968bad6fe8b5468 | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | QLTSDROPCWIKKY-PMCTYKHCSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H](CO)O[C@H]1O | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=30 mg/kg",
"Molecule name=chitobiose",
"Species or population=rats"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 1.8 | 1.2 | 33.996086 | {
"nontransfer": 0.025406431283967912,
"transfer": 0.9745935687160321
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 1.2 | 0.035298 | 0.974594 | 33.996086 | 0.974594 | 0.025406 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0.032609 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | QLTSDROPCWIKKY-PMCTYKHCSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | C1CCC(OC2CCCOC2)OC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.8±1.1%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.8,
"aggregate_max": 1.8,
"aggregate_q1": 1.8,
"aggregate_q3": 1.8... | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"30 mg/kg","extra_details":"Value expressed as mean±S.D. of 4-7 experiments; F0-4h refers to bioavailability with respect to time from 0 to 4 h.","measurement_text":"1.8±1.1%","molecule_name":"chitobiose","oral_exposure_mode":null,"pmid":"15744088","... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_97353918cf614c6cb2c3560c297605e9 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)CCOCCOCCNc3cc4c(=O)c(C(=O)O)cn(C5CC5)c4cc3Cl)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C... | (A) | train | 1e73da53d89bbcf3b48037be55351084d896fdc1396c62c58bb04f5b9a4072b7 | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:5679f1268b5624aab5fff0c32ec4d3d5fe98a467f5f10fcfca36f90bd6537956 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:5679f1268b5624aab5fff0c32ec4d3d5fe98a467f5f10fcfca36f90bd6537956 | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | GDWZHKUZAQTAST-JSGMXAAPSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)CCOCCOCCNc3cc4c(=O)c(C(=O)O)cn(C5CC5)c4cc3Cl)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=30 mg/kg",
"Molecule name=29",
"Oral exposure mode=PO",
"Species or population=rats"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 10.7 | 7.7 | 33.996086 | {
"nontransfer": 0.14994488673149786,
"transfer": 0.8500551132685021
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 7.7 | 0.226497 | 0.850055 | 33.996086 | 0.850055 | 0.149945 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0.111765 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | GDWZHKUZAQTAST-JSGMXAAPSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | O=C1CC(OC2CCC(OC(=O)CCOCCOCCNc3ccc4c(c3)c(=O)ccn4C3CC3)CO2)CC(OC2CCCCO2)CCCCNCCCCO1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "10.7 ± 5.0",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 10.7,
"aggregate_max": 10.7,
"aggregate_q1": 10.7,
"aggregate_q3"... | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"30 mg/kg","extra_details":"The reported value is the mean ± SD.","measurement_text":"10.7 ± 5.0","molecule_name":"29","oral_exposure_mode":"PO","pmid":"21600677","qualifying_conditions":null,"smiles":"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_8e06b4d30a09456981a50c2b1eaf0a86 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>COc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C(F)(F)F)c1</SMILES>
- Bioavailability report type: absolute
- Comparator: vs IV
- Dose: 1200 µg
- Extra details: Geom... | (A) | train | 9e00f6c4fe93062e99a14bf25829f03f1ac8c45942bedd167bc610bdc74b350b | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:16624259649fa31f0fe70daca4ef143bc7211e1777ce47e134cf487fd9a89230 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:16624259649fa31f0fe70daca4ef143bc7211e1777ce47e134cf487fd9a89230 | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | FCNQMDSJHADDFT-WNSKOXEYSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | COc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C(F)(F)F)c1 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=1200 µg",
"Molecule name=AZD5423",
"Oral exposure mode=po"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 4.4 | 1.4 | 33.996086 | {
"nontransfer": 0.02690452044633651,
"transfer": 0.9730954795536635
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 1.4 | 0.041181 | 0.973095 | 33.996086 | 0.973095 | 0.026905 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0.138889 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | FCNQMDSJHADDFT-WNSKOXEYSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | c1ccc(COc2ccc3c(cnn3-c3ccccc3)c2)cc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "4.4 (20)%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 4.4,
"aggregate_max": 4.4,
"aggregate_q1": 4.4,
"aggregate_q3": 4.... | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"1200 µg","extra_details":"Geometric Mean (CV%); calculated using Non-Compartmental Analysis (NCA) for Study B.","measurement_text":"4.4 (20)%","molecule_name":"AZD5423","oral_exposure_mode":"po","pmid":"28281196","qualifying_conditions":null,"smiles... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_18f616c03cb54ca7ab9b85c2a902bf76 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CCc1nnc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n1CC</SMILES>
- Bioavailability report type: absolute
- Comparator: vs IV
- Dose: 3 mg/kg
- Extra details: Clearance was 38 mL/min/kg. Fo... | (A) | train | 6c106060eb233bbb8024315c546b35376306d7d076ee5e9a060792d2a136d710 | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:9189d570f29ec027f5640af569b2dcef66ef7255303a779c8342310d52f60648 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:9189d570f29ec027f5640af569b2dcef66ef7255303a779c8342310d52f60648 | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | DCEHBSNHFUVPFD-SNVBAGLBSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | CCc1nnc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n1CC | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=3 mg/kg",
"Molecule name=33",
"Species or population=rat"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 11 | 8 | 33.996086 | {
"nontransfer": 0.16154354283543748,
"transfer": 0.8384564571645625
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 8 | 0.235321 | 0.838456 | 33.996086 | 0.838456 | 0.161544 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0.155556 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | DCEHBSNHFUVPFD-SNVBAGLBSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | O=S(=O)(NCc1nnc[nH]1)c1ccccc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "11%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 11,
"aggregate_max": 11,
"aggregate_q1": 11,
"aggregate_q3": 11
} | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"3 mg/kg","extra_details":"Clearance was 38 mL/min/kg. For the 3 mg/kg oral dose, AUC was 2.7 µM*h and Cmax was 1.6 µM. The comparator IV dose was 1 mg/kg.","measurement_text":"11%","molecule_name":"33","oral_exposure_mode":null,"pmid":"25890801","qu... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_d3388228056749acb135054fee7da229 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12</SMILES>
- Bioavailability report type: absolute
- Dose: 20 mg/kg
- Extra details: Reported in compa... | (A) | train | b7103d191e932b0fe593b508c09a093d88a2c67c4e11f94b74e6000af15de1ca | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:1d001f5013534baf87c0b41ed641d34027462cd4a50dc611006e578bfb31a096 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:1d001f5013534baf87c0b41ed641d34027462cd4a50dc611006e578bfb31a096 | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | HKEAFJYKMMKDOR-VPRICQMDSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Dose=20 mg/kg",
"Molecule name=Puerarin",
"Oral exposure mode=microemulsion (ME)",
"Species or population=fasted rabbits"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 13.54 | 10.54 | 33.996086 | {
"nontransfer": 0.289123846664851,
"transfer": 0.710876153335149
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 10.54 | 0.310036 | 0.710876 | 33.996086 | 0.710876 | 0.289124 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0.1 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | HKEAFJYKMMKDOR-VPRICQMDSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | O=c1c(-c2ccccc2)coc2c(C3CCCCO3)cccc12 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "13.54%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 13.54,
"aggregate_max": 13.54,
"aggregate_q1": 13.54,
"aggregate_q3":... | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":null,"dose":"20 mg/kg","extra_details":"Reported in comparison to nasal administration (5 mg/kg) which showed 34.58% absolute bioavailability.","measurement_text":"13.54%","molecule_name":"Puerarin","oral_exposure_mode":"microemulsion (ME)","pmid":"20862776","quali... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_d6a64ab36e384c6792acb66b7f17401c | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>O=C(O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)c1nc(NC3CC3)ncc12</SMILES>
- Bioavailability report type: absolute
- Comparator: iv 3.6 mg/kg
- Dose: 7.1 mg/kg
- Extra details: Sample s... | (A) | train | 2356ed89e2f2d43ee9b4f8e6e0359a3ebe32c22d31c95ddc7eaab91a6824b071 | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:ed7e1b543655a21ce5b0e97f05f8da712020899ceac3926aab33b90fa8861e59 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:ed7e1b543655a21ce5b0e97f05f8da712020899ceac3926aab33b90fa8861e59 | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | UXZATHOFDZQOMY-UHFFFAOYSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | O=C(O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)c1nc(NC3CC3)ncc12 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Comparator=iv 3.6 mg/kg",
"Dose=7.1 mg/kg",
"Molecule name=14k",
"Oral exposure mode=po",
"Species or population=Mouse"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 1 | 2 | 33.996086 | {
"nontransfer": 0.03193189825809195,
"transfer": 0.968068101741908
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 2 | 0.05883 | 0.968068 | 33.996086 | 0.968068 | 0.031932 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0.150943 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | UXZATHOFDZQOMY-UHFFFAOYSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | c1ccc(Nc2nc3ccccc3c3cnc(NC4CC4)nc23)cc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "1%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1,
"aggregate_max": 1,
"aggregate_q1": 1,
"aggregate_q3": 1
} | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":"iv 3.6 mg/kg","dose":"7.1 mg/kg","extra_details":"Sample size n=3; po Cmax = 28 ng/mL; po AUC = 54 ng·h/mL.","measurement_text":"1%","molecule_name":"14k","oral_exposure_mode":"po","pmid":"21316963","qualifying_conditions":null,"smiles":"O=C(O)c1ccc2c(c1)nc(Nc1ccc... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_b39ee5a3524f45acabe537f6000e10d4 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCCNC(=O)CCCNc3ccnc4cc(Cl)ccc34)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)... | (A) | train | 06117d16013edfc25b3a51b5eb43499126939b23a9d45dbd4ae36c4d5355bf8d | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:6a1397de195845c5ccc5783b81903dd20130c18d9191ecb5446c433ecdb94b2d | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:6a1397de195845c5ccc5783b81903dd20130c18d9191ecb5446c433ecdb94b2d | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | QKOSEVHGBDPNKZ-QYHWOGKCSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCCNC(=O)CCCNc3ccnc4cc(Cl)ccc34)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Comparator=vs intravenous",
"Dose=12.5 mg/kg",
"Molecule name=12",
"Oral exposure mode=oral gavage",
"Species or population=CD-1 mice"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 5 | 2 | 33.996086 | {
"nontransfer": 0.03193189825809195,
"transfer": 0.968068101741908
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 2 | 0.05883 | 0.968068 | 33.996086 | 0.968068 | 0.031932 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0.12963 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | QKOSEVHGBDPNKZ-QYHWOGKCSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | O=C(CCCNc1ccnc2ccccc12)NCCCNC1CCOC(OC2CCCCNCCCCOC(=O)CC(OC3CCCCO3)C2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "5%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 5,
"aggregate_max": 5,
"aggregate_q1": 5,
"aggregate_q3": 5
} | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":"vs intravenous","dose":"12.5 mg/kg","extra_details":"The authors described the oral bioavailability as low, suggesting it may be due to low absorption from the intestine.","measurement_text":"5%","molecule_name":"12","oral_exposure_mode":"oral gavage","pmid":"2232... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_a09a89ab8a9343c1b1063b4cb3ebbb4a | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>COC(=O)c1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1</SMILES>
- Bioavailability report type: absolute
- Comparator: vs IV
- Dose: 3 mg/kg
- Extra details: I... | (A) | train | 8f3f3d558482d56be36076da12806aa26c2159fde32ca0dd26d0440800a79c60 | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:4fdf54a6c8458e8a88eab7d3daf7ef6e89dadd4fa0f69cd33072de218198e31a | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:4fdf54a6c8458e8a88eab7d3daf7ef6e89dadd4fa0f69cd33072de218198e31a | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | AIWPMGMGPHDOPW-SECBINFHSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | COC(=O)c1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=3 mg/kg",
"Molecule name=2m",
"Species or population=Rhesus monkeys"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 12 | 9 | 33.996086 | {
"nontransfer": 0.20543968358865838,
"transfer": 0.7945603164113416
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 9 | 0.264736 | 0.79456 | 33.996086 | 0.79456 | 0.20544 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0.138889 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | AIWPMGMGPHDOPW-SECBINFHSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | O=C(NCc1ccc(-c2ccccc2)cn1)C1CC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "12%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 12,
"aggregate_max": 12,
"aggregate_q1": 12,
"aggregate_q3": 12
} | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"3 mg/kg","extra_details":"IV dose = 1 mg/kg; n = 2","measurement_text":"12%","molecule_name":"2m","oral_exposure_mode":null,"pmid":"17482459","qualifying_conditions":null,"smiles":"COC(=O)c1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_3f83a28b1a3b4165ab6dac4a1eb17114 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>COc1cc(NC(C)CCCNC(C)=C2CCOC2=O)c2ncccc2c1</SMILES>
- Bioavailability report type: absolute
- Extra details: Low bioavailability attributed to high instability of BQ at acidic pH... | (A) | train | 4ee85eb6aeb8e9862cab9d3d0a55241bf510b6f59c43c9df42216631b4527ea9 | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:fc544cb9ab50b2813a50622e6d4f9a1e48abe64df218d4dd9706a76ece866b14 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:fc544cb9ab50b2813a50622e6d4f9a1e48abe64df218d4dd9706a76ece866b14 | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | ADCOUXIGWFEYJP-UHFFFAOYSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | COc1cc(NC(C)CCCNC(C)=C2CCOC2=O)c2ncccc2c1 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Molecule name=3-[1-[4-[(6-methoxy-8-quinolinyl) amino] pentylamino] ethylidene] dihydro-2 (3 H) furanone",
"Oral exposure mode=oral administration",
"Species or population=monkeys"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 12 | 9 | 33.996086 | {
"nontransfer": 0.20543968358865838,
"transfer": 0.7945603164113416
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 9 | 0.264736 | 0.79456 | 33.996086 | 0.79456 | 0.20544 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0.150943 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | ADCOUXIGWFEYJP-UHFFFAOYSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | O=C1OCCC1=CNCCCCNc1cccc2cccnc12 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "12%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 12,
"aggregate_max": 12,
"aggregate_q1": 12,
"aggregate_q3": 12
} | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":null,"dose":null,"extra_details":"Low bioavailability attributed to high instability of BQ at acidic pH.","measurement_text":"12%","molecule_name":"3-[1-[4-[(6-methoxy-8-quinolinyl) amino] pentylamino] ethylidene] dihydro-2 (3 H) furanone","oral_exposure_mode":"ora... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_3e9c59dd396b4a5eb6dd532257fde119 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO</SMILES>
- Bioavailability report type: absolute
- Comparator: vs iv 3 mg/kg
- Dose: 60 mg/kg
- Extra details: Sample size n = 6.
- Known source ... | (A) | train | 3b8038c435b33d1d91289968f29464e5a249029a86d5aab51b12a99236d68374 | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:a187c100f2e77c8f9a34d918740b1fea48c5040e9b9ba839a9a65c3185d060de | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:a187c100f2e77c8f9a34d918740b1fea48c5040e9b9ba839a9a65c3185d060de | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | REZQBEBOWJAQKS-UHFFFAOYSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Comparator=vs iv 3 mg/kg",
"Dose=60 mg/kg",
"Molecule name=1-Triacontanol",
"Oral exposure mode=ig",
"Species or population=rats"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 1.45 | 1.55 | 33.996086 | {
"nontransfer": 0.02808411465573457,
"transfer": 0.9719158853442654
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 1.55 | 0.045593 | 0.971916 | 33.996086 | 0.971916 | 0.028084 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0.055556 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | REZQBEBOWJAQKS-UHFFFAOYSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | parent:REZQBEBOWJAQKS-UHFFFAOYSA-N | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.45 ± 0.73%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.45,
"aggregate_max": 1.45,
"aggregate_q1": 1.45,
"aggregate_q... | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":"vs iv 3 mg/kg","dose":"60 mg/kg","extra_details":"Sample size n = 6.","measurement_text":"1.45 ± 0.73%","molecule_name":"1-Triacontanol","oral_exposure_mode":"ig","pmid":"25080280","qualifying_conditions":null,"smiles":"CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO","source_smi... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_81143fcabfbe48b9925a398f713f5008 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>N[C@]1(C(=O)O)[C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(=O)O</SMILES>
- Bioavailability report type: absolute
- Comparator: vs IV
- Dose: 10 mg/kg
- Extra details: Plasma... | (A) | train | bd7d62099a0617ce8dde43751a328969f57bced50952c3ffa706bccbd00a4bfd | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:69d88788ba35ac56144c6152455be4142beace567ea4cbb53ea43968d128e30a | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:69d88788ba35ac56144c6152455be4142beace567ea4cbb53ea43968d128e30a | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | LFAGGDAZZKUVKO-JAGWWQSPSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | N[C@]1(C(=O)O)[C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(=O)O | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=10 mg/kg",
"Molecule name=5",
"Species or population=fasting rats"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 10.9 | 7.9 | 33.996086 | {
"nontransfer": 0.15759889853293396,
"transfer": 0.842401101467066
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 7.9 | 0.23238 | 0.842401 | 33.996086 | 0.842401 | 0.157599 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0.10101 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | LFAGGDAZZKUVKO-JAGWWQSPSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | c1ccc(COC2CC3CC3C2)cc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "10.9%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 10.9,
"aggregate_max": 10.9,
"aggregate_q1": 10.9,
"aggregate_q3": 10.... | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"10 mg/kg","extra_details":"Plasma concentration reached a maximum level (Cmax) of 2.5 µM at 2.7 h, with an AUCinf of 16.6 µM h.","measurement_text":"10.9%","molecule_name":"5","oral_exposure_mode":null,"pmid":"16487713","qualifying_conditions":null,... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_0ebbc32c596a4f5da52deb4d40fd169b | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CC1(C)C2CCC1(C)C(O)C2.CC1(C)C2CCC1(C)C(O)C2</SMILES>
- Bioavailability report type: absolute
- Comparator: vs IV (5 mg borneol+isoborneol/kg)
- Dose: 20 mg borneol+isoborneol/kg... | (A) | train | 48a2660e72600b063fda53f52f20768521005e7efdc39a05c69e28d6af4a6b3c | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:3e56fd876fbf5f6880efe8e7e6044219e0d3cd2fc4f955cbde01e7fae7235a83 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:3e56fd876fbf5f6880efe8e7e6044219e0d3cd2fc4f955cbde01e7fae7235a83 | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | DTGKSKDOIYIVQL-UHFFFAOYSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | CC1(C)C2CCC1(C)C(O)C2.CC1(C)C2CCC1(C)C(O)C2 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Comparator=vs IV (5 mg borneol+isoborneol/kg)",
"Dose=20 mg borneol+isoborneol/kg",
"Molecule name=Borneol",
"Oral exposure mode=Synthetic Bingpian",
"Species or population=rats"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 12.7 | 9.7 | 33.996086 | {
"nontransfer": 0.24108680205534727,
"transfer": 0.7589131979446527
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 9.7 | 0.285327 | 0.758913 | 33.996086 | 0.758913 | 0.241087 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0.05 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | DTGKSKDOIYIVQL-UHFFFAOYSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | C1CC2CCC1C2 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "12.7±1.1%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 12.7,
"aggregate_max": 12.7,
"aggregate_q1": 12.7,
"aggregate_q3":... | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":"vs IV (5 mg borneol+isoborneol/kg)","dose":"20 mg borneol+isoborneol/kg","extra_details":"Data extracted from pharmacokinetic table.","measurement_text":"12.7±1.1%","molecule_name":"Borneol","oral_exposure_mode":"Synthetic Bingpian","pmid":"23974515","qualifying_c... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_8c4748c469db4b439e2bccdde7a93bce | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>C=C[C@H]1OC2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O[C@@H]1C=C</SMILES>
- Bioavailability report type: absolute
- Comparator: vs IV
- Dose: 10 mg/kg
- Extra details: Reported as ... | (A) | train | 74552c31b647be0736c9d60ec364978102aa0394d34eebc271cc889c424374fd | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:fb74061fc488b18976bf93e59e25ec07468db3eae015ddea8a8d14f77a1ea0d3 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:fb74061fc488b18976bf93e59e25ec07468db3eae015ddea8a8d14f77a1ea0d3 | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | HIFFKGJSNMEMDS-VSKRKVRLSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | C=C[C@H]1OC2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O[C@@H]1C=C | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=10 mg/kg",
"Molecule name=28",
"Oral exposure mode=PO",
"Species or population=mice"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 14.3 | 11.3 | 33.996086 | {
"nontransfer": 0.33713499019419313,
"transfer": 0.6628650098058069
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 11.3 | 0.332391 | 0.662865 | 33.996086 | 0.662865 | 0.337135 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0.098039 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | HIFFKGJSNMEMDS-VSKRKVRLSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | C1=C2CCC3(OCCO3)C2Cc2cnn(-c3ccccc3)c21 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "14.3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 14.3,
"aggregate_max": 14.3,
"aggregate_q1": 14.3,
"aggregate_q3": 14.... | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"10 mg/kg","extra_details":"Reported as 14% in text; clearance was 114 mL/min/kg and half life was 2.3 h.","measurement_text":"14.3%","molecule_name":"28","oral_exposure_mode":"PO","pmid":"15911283","qualifying_conditions":null,"smiles":"C=C[C@H]1OC2... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_c963b574ee5b4f28828b94ef7dee9f93 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>COc1ccc(-c2c3c(c(OC)c4cc5c(cc24)OCO5)COC3=O)cc1OC</SMILES>
- Bioavailability report type: absolute
- Comparator: intravenous
- Dose: 1.80 mg/kg
- Extra details: Elimination half... | (A) | train | d23456d8c3bcde3cf1d42a9f5d8615e2fc788a4c1883b94eedf78b4fecb0bd7f | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:de10df5e08bdb0b8bf554805a52dd0a9fbd8c071872284e8e0f6890933141a24 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:de10df5e08bdb0b8bf554805a52dd0a9fbd8c071872284e8e0f6890933141a24 | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | SFPLCCUNXOBTQY-UHFFFAOYSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | COc1ccc(-c2c3c(c(OC)c4cc5c(cc24)OCO5)COC3=O)cc1OC | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Comparator=intravenous",
"Dose=1.80 mg/kg",
"Molecule name=Chinensinaphthol methyl ether",
"Species or population=rats"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 3.2 | 0.2 | 33.996086 | {
"nontransfer": 0.019055320759536976,
"transfer": 0.980944679240463
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 0.2 | 0.005883 | 0.980945 | 33.996086 | 0.980945 | 0.019055 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0.092784 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | SFPLCCUNXOBTQY-UHFFFAOYSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | O=C1OCc2cc3cc4c(cc3c(-c3ccccc3)c21)OCO4 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "3.2 ± 0.2%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3.2,
"aggregate_max": 3.2,
"aggregate_q1": 3.2,
"aggregate_q3": 3... | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":"intravenous","dose":"1.80 mg/kg","extra_details":"Elimination half-life (t1/2) value was 2.4 ± 0.8 h; the value suggests poor absorption and/or strong metabolism in vivo.","measurement_text":"3.2 ± 0.2%","molecule_name":"Chinensinaphthol methyl ether","oral_exposu... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_1826982065f042188ba1e166b3380c6c | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>C#C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(C(N)=O)c2c(N)ncnc21</SMILES>
- Bioavailability report type: absolute
- Comparator: vs IV
- Dose: 25 mg/kg
- Known source measurement: 1... | (A) | train | f8b5798c4d4093fd14812a6bc0e09bedbd415c33bd07bbea6f7ac9f2797fba24 | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:eb40f3cd175ba5e41ae52442aa0f08347fca14ecc55ce704a1100a1b1cd234d6 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:eb40f3cd175ba5e41ae52442aa0f08347fca14ecc55ce704a1100a1b1cd234d6 | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | HRAYXWGUYHJDEA-MVNCPAOLSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | C#C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(C(N)=O)c2c(N)ncnc21 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=25 mg/kg",
"Molecule name=NITD449",
"Oral exposure mode=solution (0.1 N HCl and 100 mM citrate buffer, pH 3.5)",
"Species or population=female CD-1 mice"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 1 | 2 | 33.996086 | {
"nontransfer": 0.03193189825809195,
"transfer": 0.968068101741908
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 2 | 0.05883 | 0.968068 | 33.996086 | 0.968068 | 0.031932 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0.096154 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | HRAYXWGUYHJDEA-MVNCPAOLSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | c1ncc2ccn(C3CCCO3)c2n1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "1%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1,
"aggregate_max": 1,
"aggregate_q1": 1,
"aggregate_q3": 1
} | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"25 mg/kg","extra_details":null,"measurement_text":"1%","molecule_name":"NITD449","oral_exposure_mode":"solution (0.1 N HCl and 100 mM citrate buffer, pH 3.5)","pmid":"20516277","qualifying_conditions":null,"smiles":"C#C[C@@]1(O)[C@H](O)[C@@H](CO)O[C... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_65c2fff671b04f50af880ee598d2a2d4 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O</SMILES>
- Bioavailability report type: absolute
- Dose: 500 mg/kg
- Extra details: bioavailability of curcumin in rat plasma
-... | (A) | train | 6fabaf0e2fd0b50598d79841fde0eda686fbc3d452b3261c6d164ae07c1a2ec0 | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:35b36e7d3152a8e936bc4afd2e5b2f60384bff48536f9c0b771300764e793388 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:35b36e7d3152a8e936bc4afd2e5b2f60384bff48536f9c0b771300764e793388 | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | VFLDPWHFBUODDF-FCXRPNKRSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Dose=500 mg/kg",
"Molecule name=Curcumin",
"Oral exposure mode=p.o.",
"Species or population=freely moving rats"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 1 | 2 | 33.996086 | {
"nontransfer": 0.03193189825809195,
"transfer": 0.968068101741908
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 2 | 0.05883 | 0.968068 | 33.996086 | 0.968068 | 0.031932 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0.119048 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | VFLDPWHFBUODDF-FCXRPNKRSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | O=C(C=Cc1ccccc1)CC(=O)C=Cc1ccccc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "1%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1,
"aggregate_max": 1,
"aggregate_q1": 1,
"aggregate_q3": 1
} | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":null,"dose":"500 mg/kg","extra_details":"bioavailability of curcumin in rat plasma","measurement_text":"1%","molecule_name":"Curcumin","oral_exposure_mode":"p.o.","pmid":"24520218","qualifying_conditions":null,"smiles":"COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)c... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_8f8d48afdc4f4d8f8e97ffcceaf30a0b | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3</SMILES>
- Bioavailability report type: absolute
- Extra details: The low bioavailability in monkeys may be due to... | (A) | train | 2d5485afdb806d040caf563b8e5a556e18ab32942b693b88eea4e78ffa4e59dd | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:47cd259775e0f54e1c8910485b87c883217676dd66a6267dada1f2c83d80e974 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:47cd259775e0f54e1c8910485b87c883217676dd66a6267dada1f2c83d80e974 | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | NXFFJDQHYLNEJK-CYBMUJFWSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Molecule name=MK-0524",
"Species or population=monkeys"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 8 | 5 | 33.996086 | {
"nontransfer": 0.07383343232074302,
"transfer": 0.926166567679257
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 5 | 0.147076 | 0.926167 | 33.996086 | 0.926167 | 0.073833 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0.12381 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | NXFFJDQHYLNEJK-CYBMUJFWSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | c1ccc(Cn2c3c(c4ccccc42)CCC3)cc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "~8%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 8,
"aggregate_max": 8,
"aggregate_q1": 8,
"aggregate_q3": 8
} | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":null,"dose":null,"extra_details":"The low bioavailability in monkeys may be due to high propensity of acyl glucuronidation via first-pass metabolism.","measurement_text":"~8%","molecule_name":"MK-0524","oral_exposure_mode":null,"pmid":"17523054","qualifying_conditi... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_6cbebba1cd0c476aa352f3a7eb29863f | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12</SMILES>
- Bioavailability report type: absolute
- Comparator: vs IV
- Dose: 100 mg/kg
- Extra... | (A) | train | 7c579682465a053ab7a41c53546baa809fba048d6eb023db8db89862f2da4435 | -1 | null | -1 | null | null | null | bioavailability_ma | hf_bioavailability | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:260bac9b8b627f0f4b6784e64f25fda95ae18c103e55a066d258c83a5d79f6f4 | bioavailability_ma:d816250653f621b7d70a49ee3ab8fa153d0ea3b5b21eff2f9fe56ba638398c1f | bioavailability_ma:260bac9b8b627f0f4b6784e64f25fda95ae18c103e55a066d258c83a5d79f6f4 | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | OVSQVDMCBVZWGM-DTGCRPNFSA-N | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC)c1cc(C)cnc1C | O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=5 mg/kg",
"Molecule name=61",
"Oral exposure mode=5% DMSO/95%PEG400 formulation",
"Species or population=rat"
] | [
"Bioavailability report type=absolute",
"Comparator=vs IV",
"Dose=100 mg/kg",
"Molecule name=hyperin",
"Species or population=mice"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3 | 1.2 | 1.8 | 33.996086 | {
"nontransfer": 0.0301625531434081,
"transfer": 0.9698374468565919
} | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | L2 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"hf_bioavailability\",\"oral_bioavailability\",\"%\",\"__unknown__\",\"absolute\",\"direct\",\"no_reported_external... | 1.8 | 0.052947 | 0.969837 | 33.996086 | 0.969837 | 0.030163 | query_disjoint_ratio_conflict_gated.v24.2 | 1 | true | 0.084112 | -1 | -1 | -1 | hf_bioavailability | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition","L2"] | ZTZDBBLXAQRDRC-FDUHJNRSSA-N | OVSQVDMCBVZWGM-DTGCRPNFSA-N | O=C1CN(Cc2cccnc2)C(=O)C(C2Cc3ccccc3C2)N1 | O=c1c(OC2CCCCO2)c(-c2ccccc2)oc2ccccc12 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3,
"aggregate_max": 3,
"aggregate_q1": 3,
"aggregate_q3": 3
} | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.2%",
"display_unit_text": "",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.2,
"aggregate_max": 1.2,
"aggregate_q1": 1.2,
"aggregate_q3": 1.2
} | 15,437 | 14,582 | 6,829 | id | train_and_validation_exact_bucket.v24 | identity | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"5 mg/kg","extra_details":"AUC po = [not provided], Cl = [not provided]","measurement_text":"3%","molecule_name":"61","oral_exposure_mode":"5% DMSO/95%PEG400 formulation","pmid":"22239250","qualifying_conditions":null,"smiles":"CC[C@H](C)[C@@H]1C(=O)... | {"bioavailability_report_type":"absolute","comparator":"vs IV","dose":"100 mg/kg","extra_details":"The summary table in paragraph 59 lists the bioavailability (F %) for hyperin (p.o.) as 1.1%.","measurement_text":"1.2%","molecule_name":"hyperin","oral_exposure_mode":null,"pmid":"26588877","qualifying_conditions":null,"... | L2 | nondirect_oral_bioavailability | sr_e519a739a1614f2e87c85ea1ad51cf36 | sr_9e6a02b95ca0471085ab62ee60e49b8b | ["hf_bioavailability","oral_bioavailability","%","__unknown__","absolute","direct","no_reported_external_condition"] |
Oral V24.1 (consolidated)
Canonical consolidated release, superseding the local intermediate builds at artifacts/v24_1 and artifacts/oral_v24_2. Those paths are retained only as frozen provenance and reusable build inputs, not active release alternatives.
Training, conflict exclusions, geometry, eligibility, empirical targets and reference pools are byte-preserved from the verified intermediate training build. Internal v24.2 training/target identifiers identify that unchanged component; they are not the release version. Release manifests identify this as v24.1.
Each L2-L6 validation and test panel targets 500 queries total. Cover buckets first, then add queries in equal bucket rounds, unused parents first within each bucket, then other distinct records. All ordering uses fixed identity hashes, not labels, values or training support. ID references are up to 50; OOD 8-10. OOD shares the total query budget; exhaustive OOD-parent selection is superseded. Validation and test membership and training parent/scaffold separation stay fixed. Test measurements still participate in the inherited variance eligibility gate, not training target fitting. No new model evaluation or remote publication.
Level: L2
Pair counts: {'train': 2101987, 'validation_ranking': 23154, 'test_ranking': 22628}
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