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>COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1</SMILES>
- Endpoint: AUC
- Known source measurement: 2444.0
- Oral dose: 15 mg ZD4054 + 600 mg rifampicin
- Qualifying conditi... | (A) | train | 554191598723cf3aeb1e14dd8701cdd9a320b599cbf3e5af8b9dd6cfbb06e94d | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:60ef70fb655bca8fa425fb91ff2805cf03c27f55121eecd5be80fe8b3f0f5ef6 | bioavailability_ma:c12e306a056c365e78aeb7b88d81483d7446631eab579c88c6d410a3ba14ec46 | bioavailability_ma:60ef70fb655bca8fa425fb91ff2805cf03c27f55121eecd5be80fe8b3f0f5ef6 | bioavailability_ma:c12e306a056c365e78aeb7b88d81483d7446631eab579c88c6d410a3ba14ec46 | CNPVJJQCETWNEU-CYFREDJKSA-N | FJHHZXWJVIEFGJ-UHFFFAOYSA-N | COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1 | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","__unknown__","L3"] | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","__unknown__","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=AUC",
"Statistic type=arithmetic_mean",
"Study context=Oral vicriviroc dosing in a ritonavir‐containing regimen; day 14 (dual therapy) in subjects who discontinued treatment; plasma exposure",
"Source unit=ng·h/mL"
] | [
"Endpoint=AUC",
"Oral dose=15 mg ZD4054 + 600 mg rifampicin",
"Qualifying conditions=co‐administration with rifampicin",
"Statistic type=geometric_mean",
"Study context=healthy male volunteers, plasma, single oral dose, co‐administered with rifampicin",
"Source unit=ng·h·ml^-1"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3.542825 | 3.388101 | 0.154724 | 1.064917 | {
"nontransfer": 0.07262311129117971,
"transfer": 0.9273768887088203
} | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","__unknown__","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"auc_unspecified\",\"ng\\u00b7h/mL\",\"human\",\"plasma\",\"__unknown__\",\"L3\"]",
"query_co... | 1,046 | 0.145292 | 0.927377 | 1.064917 | 0.927377 | 0.072623 | query_disjoint_ratio_conflict_gated.v25 | 1 | true | 0.101852 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","__unknown__","L3"] | CNPVJJQCETWNEU-CYFREDJKSA-N | FJHHZXWJVIEFGJ-UHFFFAOYSA-N | O=C(c1cncnc1)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1 | O=S(=O)(Nc1cnccn1)c1cccnc1-c1ccc(-c2nnco2)cc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3490.0",
"display_unit_text": "ng·h/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3490,
"aggregate_max": 3490,
"aggregate_q1": 3490,
"aggregate_... | {
"aggregation_method": "individual_record",
"display_measurement_text": "2444.0",
"display_unit_text": "ng·h·ml^-1",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2444,
"aggregate_max": 2444,
"aggregate_q1": 2444,
"aggrega... | 521 | 425 | 143 | id | train_and_validation_exact_bucket.v24 | log10 | {"comparator_exposure":null,"confidence":0.96,"endpoint_name":"AUC","extra_details":"Mean AUC value reported for four subjects; derived from table III.","extraction_id":"ext_79","global_identifier":"SMILES:2025214","measurement_text":"3490.0","oral_dose":null,"paragraph_idx":73,"pmid":"21348539","qualifying_conditions"... | {"comparator_exposure":null,"confidence":0.96,"endpoint_name":"AUC","extra_details":null,"extraction_id":"ext_9","global_identifier":"SMILES:2404953","measurement_text":"2444.0","oral_dose":"15 mg ZD4054 + 600 mg rifampicin","paragraph_idx":66,"pmid":"19480550","qualifying_conditions":"co‐administration with rifampicin... | L3 | oral_auc_cmax_exposure | sr_ec9238865c7d46f4b06de5514e21076d | sr_6325f1260db7471bb86d0320fa9b112d | ["oral_exposure","auc_unspecified","ng·h/mL","human","plasma","__unknown__"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1</SMILES>
- Comparator exposure: male alone: 2434 ng·h/mL (geometric mean)
- Endpoint: AUC
- Extra details: steady‐... | (A) | train | 4c33c7769cb440a67a78c3683494e7447c5ff754be66db6b4b1d92259f08eb94 | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:60ef70fb655bca8fa425fb91ff2805cf03c27f55121eecd5be80fe8b3f0f5ef6 | bioavailability_ma:1fe002950585a10b6a7498e76dfcf357c76947cdbb312eaeb0f5c0d0d1756420 | bioavailability_ma:60ef70fb655bca8fa425fb91ff2805cf03c27f55121eecd5be80fe8b3f0f5ef6 | bioavailability_ma:1fe002950585a10b6a7498e76dfcf357c76947cdbb312eaeb0f5c0d0d1756420 | CNPVJJQCETWNEU-CYFREDJKSA-N | RMMXLENWKUUMAY-UHFFFAOYSA-N | COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","__unknown__","L3"] | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","__unknown__","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=AUC",
"Statistic type=arithmetic_mean",
"Study context=Oral vicriviroc dosing in a ritonavir‐containing regimen; day 14 (dual therapy) in subjects who discontinued treatment; plasma exposure",
"Source unit=ng·h/mL"
] | [
"Endpoint=AUC",
"Statistic type=geometric_mean",
"Study context=human subjects, steady‐state, plasma, oral dosing, male, telmisartan + hydrochlorothiazide",
"Source unit=ng·h/mL"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3.542825 | 3.640879 | 0.098053 | 1.064917 | {
"nontransfer": 0.04397178263146728,
"transfer": 0.9560282173685327
} | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","__unknown__","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"auc_unspecified\",\"ng\\u00b7h/mL\",\"human\",\"plasma\",\"__unknown__\",\"L3\"]",
"query_co... | 884 | 0.092076 | 0.956028 | 1.064917 | 0.956028 | 0.043972 | query_disjoint_ratio_conflict_gated.v25 | 1 | true | 0.096491 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","__unknown__","L3"] | CNPVJJQCETWNEU-CYFREDJKSA-N | RMMXLENWKUUMAY-UHFFFAOYSA-N | O=C(c1cncnc1)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1 | c1ccc(-c2ccc(Cn3cnc4ccc(-c5nc6ccccc6[nH]5)cc43)cc2)cc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3490.0",
"display_unit_text": "ng·h/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3490,
"aggregate_max": 3490,
"aggregate_q1": 3490,
"aggregate_... | {
"aggregation_method": "individual_record",
"display_measurement_text": "4374.0",
"display_unit_text": "ng·h/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 4374,
"aggregate_max": 4374,
"aggregate_q1": 4374,
"aggregate_... | 521 | 425 | 143 | id | train_and_validation_exact_bucket.v24 | log10 | {"comparator_exposure":null,"confidence":0.96,"endpoint_name":"AUC","extra_details":"Mean AUC value reported for four subjects; derived from table III.","extraction_id":"ext_79","global_identifier":"SMILES:2025214","measurement_text":"3490.0","oral_dose":null,"paragraph_idx":73,"pmid":"21348539","qualifying_conditions"... | {"comparator_exposure":"male alone: 2434 ng·h/mL (geometric mean)","confidence":0.97,"endpoint_name":"AUC","extra_details":"steady‐state geometric mean AUCss in males with HCTZ","extraction_id":"ext_12","global_identifier":"SMILES:1384557","measurement_text":"4374.0","oral_dose":null,"paragraph_idx":45,"pmid":"11185630... | L3 | oral_auc_cmax_exposure | sr_ec9238865c7d46f4b06de5514e21076d | sr_9683ef12d1e142b792e9e8e5031b913a | ["oral_exposure","auc_unspecified","ng·h/mL","human","plasma","__unknown__"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1</SMILES>
- Endpoint: AUC
- Extra details: AUC0‐24 hr
- Known source measurement: 2010.0
- Oral dose: one 1... | (A) | train | 25a33e9cc8e4069ee0e5ff7e66f82c3720bbecdaf99ae0c1b831c6eabc039524 | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:60ef70fb655bca8fa425fb91ff2805cf03c27f55121eecd5be80fe8b3f0f5ef6 | bioavailability_ma:b918820a846f4b34d80d519c2d5970350340cff5f976c825e2fdb55506bae4d7 | bioavailability_ma:60ef70fb655bca8fa425fb91ff2805cf03c27f55121eecd5be80fe8b3f0f5ef6 | bioavailability_ma:b918820a846f4b34d80d519c2d5970350340cff5f976c825e2fdb55506bae4d7 | CNPVJJQCETWNEU-CYFREDJKSA-N | UJVLDDZCTMKXJK-WNHSNXHDSA-N | COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1 | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","__unknown__","L3"] | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","__unknown__","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=AUC",
"Statistic type=arithmetic_mean",
"Study context=Oral vicriviroc dosing in a ritonavir‐containing regimen; day 14 (dual therapy) in subjects who discontinued treatment; plasma exposure",
"Source unit=ng·h/mL"
] | [
"Endpoint=AUC",
"Oral dose=one 100‐mg SP tablet",
"Statistic type=arithmetic_mean",
"Study context=healthy subjects (n=12), plasma, single oral dose, mean ± SEM",
"Source unit=ng·h/ml"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3.542825 | 3.303196 | 0.239629 | 1.064917 | {
"nontransfer": 0.1480745521555379,
"transfer": 0.8519254478444621
} | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","__unknown__","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"auc_unspecified\",\"ng\\u00b7h/mL\",\"human\",\"plasma\",\"__unknown__\",\"L3\"]",
"query_co... | 1,480 | 0.225022 | 0.851925 | 1.064917 | 0.851925 | 0.148075 | query_disjoint_ratio_conflict_gated.v25 | 1 | true | 0.103093 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","__unknown__","L3"] | CNPVJJQCETWNEU-CYFREDJKSA-N | UJVLDDZCTMKXJK-WNHSNXHDSA-N | O=C(c1cncnc1)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1 | O=C1C=C2C=CC3C(CCC4C3CCC43CCC(=O)O3)C2CC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "3490.0",
"display_unit_text": "ng·h/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3490,
"aggregate_max": 3490,
"aggregate_q1": 3490,
"aggregate_... | {
"aggregation_method": "individual_record",
"display_measurement_text": "2010.0",
"display_unit_text": "ng·h/ml",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2010,
"aggregate_max": 2010,
"aggregate_q1": 2010,
"aggregate_... | 521 | 425 | 143 | id | train_and_validation_exact_bucket.v24 | log10 | {"comparator_exposure":null,"confidence":0.96,"endpoint_name":"AUC","extra_details":"Mean AUC value reported for four subjects; derived from table III.","extraction_id":"ext_79","global_identifier":"SMILES:2025214","measurement_text":"3490.0","oral_dose":null,"paragraph_idx":73,"pmid":"21348539","qualifying_conditions"... | {"comparator_exposure":null,"confidence":0.95,"endpoint_name":"AUC","extra_details":"AUC0‐24 hr","extraction_id":"ext_26","global_identifier":"SMILES:2545223","measurement_text":"2010.0","oral_dose":"one 100‐mg SP tablet","paragraph_idx":39,"pmid":"363379","qualifying_conditions":null,"smiles":"C[C@]12CCC(=O)C=C1C=C[C@... | L3 | oral_auc_cmax_exposure | sr_ec9238865c7d46f4b06de5514e21076d | sr_3f6c3f6cb702426a962aa2023fe9415d | ["oral_exposure","auc_unspecified","ng·h/mL","human","plasma","__unknown__"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>Nc1nc(/C(=N/O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(SCSc4cn[nH]n4)CS[C@H]23)cs1</SMILES>
- Endpoint: Tmax
- Known source measurement: 3.0
- Oral dose: 100 mg single oral dose
- Statis... | (A) | train | a96d4569ac88a28580f785067586106381e507399edbae13f61098b74fd5d270 | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:808eaff3970af040cd771cb1ac71b4d5f94fcf2df18d6c1c71c56109aa2ff601 | bioavailability_ma:3119757c5201c5bef8f2ca567e3ac6f5a11aae90266141e49dd01e862ccffd74 | bioavailability_ma:808eaff3970af040cd771cb1ac71b4d5f94fcf2df18d6c1c71c56109aa2ff601 | bioavailability_ma:3119757c5201c5bef8f2ca567e3ac6f5a11aae90266141e49dd01e862ccffd74 | HYWYRSMBCFDLJT-UHFFFAOYSA-N | UEQVTKSAEXANEZ-YCRCPZNHSA-N | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | Nc1nc(/C(=N/O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(SCSc4cn[nH]n4)CS[C@H]23)cs1 | ["oral_exposure","time_to_maximum_concentration","h","human","plasma","mass|absolute|mg|100","L3"] | ["oral_exposure","time_to_maximum_concentration","h","human","plasma","mass|absolute|mg|100","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=Tmax",
"Oral dose=100 mg tablet, mixed gender",
"Statistic type=arithmetic_mean",
"Study context=healthy volunteers, single oral dose, plasma",
"Source unit=h"
] | [
"Endpoint=Tmax",
"Oral dose=100 mg single oral dose",
"Statistic type=arithmetic_mean",
"Study context=6 healthy volunteers, nonfasting condition, plasma matrix, single dose",
"Source unit=h"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 0.426511 | 0.477121 | 0.05061 | 0.327604 | {
"nontransfer": 0.07906301282924666,
"transfer": 0.9209369871707533
} | ["oral_exposure","time_to_maximum_concentration","h","human","plasma","mass|absolute|mg|100","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"time_to_maximum_concentration\",\"h\",\"human\",\"plasma\",\"mass|absolute|mg|100\",\"L3\"]",
... | 0.33 | 0.154485 | 0.920937 | 0.327604 | 0.920937 | 0.079063 | query_disjoint_ratio_conflict_gated.v25 | 1 | true | 0.058252 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","time_to_maximum_concentration","h","human","plasma","mass|absolute|mg|100","L3"] | HYWYRSMBCFDLJT-UHFFFAOYSA-N | UEQVTKSAEXANEZ-YCRCPZNHSA-N | c1ccc(Oc2ccccc2)cc1 | N=C(C(=O)NC1C(=O)N2C=C(SCSc3cn[nH]n3)CSC12)c1cscn1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "2.67",
"display_unit_text": "h",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2.67,
"aggregate_max": 2.67,
"aggregate_q1": 2.67,
"aggregate_q3": 2.6... | {
"aggregation_method": "individual_record",
"display_measurement_text": "3.0",
"display_unit_text": "h",
"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
} | 562 | 517 | 218 | id | train_and_validation_exact_bucket.v24 | log10 | {"comparator_exposure":null,"confidence":0.94,"endpoint_name":"Tmax","extra_details":null,"extraction_id":"ext_37","global_identifier":"SMILES:2418418","measurement_text":"2.67","oral_dose":"100 mg tablet, mixed gender","paragraph_idx":15,"pmid":"7506196","qualifying_conditions":null,"smiles":"CS(=O)(=O)Nc1ccc([N+](=O)... | {"comparator_exposure":null,"confidence":0.96,"endpoint_name":"Tmax","extra_details":null,"extraction_id":"ext_7","global_identifier":"SMILES:3371548","measurement_text":"3.0","oral_dose":"100 mg single oral dose","paragraph_idx":35,"pmid":"29681381","qualifying_conditions":null,"smiles":"Nc1nc(/C(=N/O)C(=O)N[C@@H]2C(=... | L3 | oral_auc_cmax_exposure | sr_eeb42b1014734d669e23344cf45c85de | sr_9a92c0e0cbcc48d88096040d42b2a2af | ["oral_exposure","time_to_maximum_concentration","h","human","plasma","mass|absolute|mg|100"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1</SMILES>
- Endpoint: Tmax
- Known source measurement: 2.7
- Oral dose: 100 mg
- Statistic type: geometric_mean
- Study context: single oral do... | (A) | train | 714039ce6912a7f2de2e4331919bd15d1dba428ab1b65b96e0f1ce4ee54046f5 | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:808eaff3970af040cd771cb1ac71b4d5f94fcf2df18d6c1c71c56109aa2ff601 | bioavailability_ma:3c793eb1c142fdaa6085c5c0935615cc9544cbc7fe3f78a3f5f4c376ca9aa940 | bioavailability_ma:808eaff3970af040cd771cb1ac71b4d5f94fcf2df18d6c1c71c56109aa2ff601 | bioavailability_ma:3c793eb1c142fdaa6085c5c0935615cc9544cbc7fe3f78a3f5f4c376ca9aa940 | HYWYRSMBCFDLJT-UHFFFAOYSA-N | METKIMKYRPQLGS-LBPRGKRZSA-N | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 | ["oral_exposure","time_to_maximum_concentration","h","human","plasma","mass|absolute|mg|100","L3"] | ["oral_exposure","time_to_maximum_concentration","h","human","plasma","mass|absolute|mg|100","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=Tmax",
"Oral dose=100 mg tablet, mixed gender",
"Statistic type=arithmetic_mean",
"Study context=healthy volunteers, single oral dose, plasma",
"Source unit=h"
] | [
"Endpoint=Tmax",
"Oral dose=100 mg",
"Statistic type=geometric_mean",
"Study context=single oral dose, healthy volunteers, plasma, reference formulation",
"Source unit=h"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 0.426511 | 0.431364 | 0.004853 | 0.327604 | {
"nontransfer": 0.020798044640508717,
"transfer": 0.9792019553594913
} | ["oral_exposure","time_to_maximum_concentration","h","human","plasma","mass|absolute|mg|100","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"time_to_maximum_concentration\",\"h\",\"human\",\"plasma\",\"mass|absolute|mg|100\",\"L3\"]",
... | 0.03 | 0.014812 | 0.979202 | 0.327604 | 0.979202 | 0.020798 | query_disjoint_ratio_conflict_gated.v25 | 1 | true | 0.119403 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","time_to_maximum_concentration","h","human","plasma","mass|absolute|mg|100","L3"] | HYWYRSMBCFDLJT-UHFFFAOYSA-N | METKIMKYRPQLGS-LBPRGKRZSA-N | c1ccc(Oc2ccccc2)cc1 | c1ccccc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "2.67",
"display_unit_text": "h",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2.67,
"aggregate_max": 2.67,
"aggregate_q1": 2.67,
"aggregate_q3": 2.6... | {
"aggregation_method": "individual_record",
"display_measurement_text": "2.7",
"display_unit_text": "h",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2.7,
"aggregate_max": 2.7,
"aggregate_q1": 2.7,
"aggregate_q3": 2.7
} | 562 | 517 | 218 | id | train_and_validation_exact_bucket.v24 | log10 | {"comparator_exposure":null,"confidence":0.94,"endpoint_name":"Tmax","extra_details":null,"extraction_id":"ext_37","global_identifier":"SMILES:2418418","measurement_text":"2.67","oral_dose":"100 mg tablet, mixed gender","paragraph_idx":15,"pmid":"7506196","qualifying_conditions":null,"smiles":"CS(=O)(=O)Nc1ccc([N+](=O)... | {"comparator_exposure":null,"confidence":0.94,"endpoint_name":"Tmax","extra_details":null,"extraction_id":"ext_5","global_identifier":"SMILES:703923","measurement_text":"2.7","oral_dose":"100 mg","paragraph_idx":46,"pmid":"12087922","qualifying_conditions":null,"smiles":"CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1","source_reco... | L3 | oral_auc_cmax_exposure | sr_eeb42b1014734d669e23344cf45c85de | sr_0bab0e1e530c4743850e4f38500af255 | ["oral_exposure","time_to_maximum_concentration","h","human","plasma","mass|absolute|mg|100"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>O=C1COc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1</SMILES>
- Endpoint: Tmax
- Known source measurement: 3.6
- Oral dose: 100 mg
- Statistic type: arithmetic_mean
- Study context: ... | (A) | train | 6aab3730030b247dfb2f84da9ca9bfcfbc41f0eddd7d456810518079b15f1c7f | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:808eaff3970af040cd771cb1ac71b4d5f94fcf2df18d6c1c71c56109aa2ff601 | bioavailability_ma:25c354ddaa61430160e7da71e38aed6a03fed7bd3e062c5ed7f87e67d461a4ff | bioavailability_ma:808eaff3970af040cd771cb1ac71b4d5f94fcf2df18d6c1c71c56109aa2ff601 | bioavailability_ma:25c354ddaa61430160e7da71e38aed6a03fed7bd3e062c5ed7f87e67d461a4ff | HYWYRSMBCFDLJT-UHFFFAOYSA-N | PMKMNTBZJOXTJW-UHFFFAOYSA-N | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | O=C1COc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1 | ["oral_exposure","time_to_maximum_concentration","h","human","plasma","mass|absolute|mg|100","L3"] | ["oral_exposure","time_to_maximum_concentration","h","human","plasma","mass|absolute|mg|100","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=Tmax",
"Oral dose=100 mg tablet, mixed gender",
"Statistic type=arithmetic_mean",
"Study context=healthy volunteers, single oral dose, plasma",
"Source unit=h"
] | [
"Endpoint=Tmax",
"Oral dose=100 mg",
"Statistic type=arithmetic_mean",
"Study context=human subjects, plasma, fasted state, single daily oral dose, multiple‐dose study",
"Source unit=hr"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 0.426511 | 0.556303 | 0.129791 | 0.327604 | {
"nontransfer": 0.49045997620967363,
"transfer": 0.5095400237903264
} | ["oral_exposure","time_to_maximum_concentration","h","human","plasma","mass|absolute|mg|100","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"time_to_maximum_concentration\",\"h\",\"human\",\"plasma\",\"mass|absolute|mg|100\",\"L3\"]",
... | 0.93 | 0.396184 | 0.50954 | 0.327604 | 0.50954 | 0.49046 | query_disjoint_ratio_conflict_gated.v25 | 1 | false | 0.093023 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","time_to_maximum_concentration","h","human","plasma","mass|absolute|mg|100","L3"] | HYWYRSMBCFDLJT-UHFFFAOYSA-N | PMKMNTBZJOXTJW-UHFFFAOYSA-N | c1ccc(Oc2ccccc2)cc1 | O=C1COc2ccc(OCCCCN3CCN(c4ccccc4)CC3)cc2N1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "2.67",
"display_unit_text": "h",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2.67,
"aggregate_max": 2.67,
"aggregate_q1": 2.67,
"aggregate_q3": 2.6... | {
"aggregation_method": "individual_record",
"display_measurement_text": "3.6",
"display_unit_text": "hr",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3.6,
"aggregate_max": 3.6,
"aggregate_q1": 3.6,
"aggregate_q3": 3.6
} | 562 | 517 | 218 | id | train_and_validation_exact_bucket.v24 | log10 | {"comparator_exposure":null,"confidence":0.94,"endpoint_name":"Tmax","extra_details":null,"extraction_id":"ext_37","global_identifier":"SMILES:2418418","measurement_text":"2.67","oral_dose":"100 mg tablet, mixed gender","paragraph_idx":15,"pmid":"7506196","qualifying_conditions":null,"smiles":"CS(=O)(=O)Nc1ccc([N+](=O)... | {"comparator_exposure":null,"confidence":0.96,"endpoint_name":"Tmax","extra_details":null,"extraction_id":"ext_63","global_identifier":"SMILES:3797428","measurement_text":"3.6","oral_dose":"100 mg","paragraph_idx":77,"pmid":"29119704","qualifying_conditions":null,"smiles":"O=C1COc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N... | L3 | oral_auc_cmax_exposure | sr_eeb42b1014734d669e23344cf45c85de | sr_4190206f665f43728539b6a5fa9001d4 | ["oral_exposure","time_to_maximum_concentration","h","human","plasma","mass|absolute|mg|100"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CN(C)C(=N)NC(=N)N</SMILES>
- Comparator exposure: Phase A (metformin only) AUC0–24 h 6695 ng·h/ml
- Endpoint: AUC
- Extra details: Mean ± SD 8682±2500 ng·h/ml.
- Known source me... | (A) | train | a8c807c8df9fad4b47ed0624b2fbf160a03cdfa19059073063a80a4e5b8f2d90 | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:cc2c81efbcd0b253ddbe79e7ec1cbbc1088ba2e150f1d70d3dff1d42d95845f4 | bioavailability_ma:72d80c3102589375337dd2f689bbe791d76b9a71382cf0746edc42a570cca052 | bioavailability_ma:cc2c81efbcd0b253ddbe79e7ec1cbbc1088ba2e150f1d70d3dff1d42d95845f4 | bioavailability_ma:72d80c3102589375337dd2f689bbe791d76b9a71382cf0746edc42a570cca052 | PHLBKPHSAVXXEF-UHFFFAOYSA-N | XZWYZXLIPXDOLR-UHFFFAOYSA-N | O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12 | CN(C)C(=N)NC(=N)N | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","__unknown__","__unknown__","L3"] | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","__unknown__","__unknown__","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=AUC",
"Statistic type=arithmetic_mean",
"Study context=human volunteers, oral trazodone, single dose, two administrations per subject, subjects without dizziness",
"Source unit=ng·h/ml"
] | [
"Endpoint=AUC",
"Oral dose=850 mg metformin hydrochloride tablet plus trimethoprim 200 mg BID, oral, fasted",
"Qualifying conditions=co‐administration of trimethoprim 200 mg BID",
"Statistic type=arithmetic_mean",
"Study context=12 healthy volunteers, oral administration of 850 mg metformin hydrochloride wi... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3.994 | 3.93862 | 0.05538 | 1.126815 | {
"nontransfer": 0.02907071458730559,
"transfer": 0.9709292854126944
} | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","__unknown__","__unknown__","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"auc_unspecified\",\"ng\\u00b7h/mL\",\"human\",\"__unknown__\",\"__unknown__\",\"L3\"]",
"que... | 1,180.8 | 0.049148 | 0.970929 | 1.126815 | 0.970929 | 0.029071 | query_disjoint_ratio_conflict_gated.v25 | 1 | true | 0 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","__unknown__","__unknown__","L3"] | PHLBKPHSAVXXEF-UHFFFAOYSA-N | XZWYZXLIPXDOLR-UHFFFAOYSA-N | O=c1n(CCCN2CCN(c3ccccc3)CC2)nc2ccccn12 | parent:XZWYZXLIPXDOLR-UHFFFAOYSA-N | {
"aggregation_method": "individual_record",
"display_measurement_text": "9862.8",
"display_unit_text": "ng·h/ml",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 9862.8,
"aggregate_max": 9862.8,
"aggregate_q1": 9862.8,
"aggr... | {
"aggregation_method": "individual_record",
"display_measurement_text": "8682.0",
"display_unit_text": "ng·h/ml",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 8682,
"aggregate_max": 8682,
"aggregate_q1": 8682,
"aggregate_... | 167 | 159 | 45 | id | train_and_validation_exact_bucket.v24 | log10 | {"comparator_exposure":null,"confidence":0.95,"endpoint_name":"AUC","extra_details":null,"extraction_id":"ext_13","global_identifier":"SMILES:4041427","measurement_text":"9862.8","oral_dose":null,"paragraph_idx":68,"pmid":"29061081","qualifying_conditions":null,"smiles":"O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12","sou... | {"comparator_exposure":"Phase A (metformin only) AUC0–24 h 6695 ng·h/ml","confidence":0.98,"endpoint_name":"AUC","extra_details":"Mean ± SD 8682±2500 ng·h/ml.","extraction_id":"ext_5","global_identifier":"SMILES:1704797","measurement_text":"8682.0","oral_dose":"850 mg metformin hydrochloride tablet plus trimethoprim 20... | L3 | oral_auc_cmax_exposure | sr_0ddb229cbcbd439fb9a74d20edac1b1e | sr_033c2f2423624574a7d414c5ec8cea9d | ["oral_exposure","auc_unspecified","ng·h/mL","human","__unknown__","__unknown__"] | |
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>
- Endpoint: AUC
- Known source measurement: 3649.0
- Statistic type: arithmetic_mean
- Study context: Healthy human, s... | (A) | train | 8129de2e0c1b63dba7f17ff764e84fcf72eb35350224ec073f8dd0706726e33b | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:cc2c81efbcd0b253ddbe79e7ec1cbbc1088ba2e150f1d70d3dff1d42d95845f4 | bioavailability_ma:60905da9ccc7e4d258e0c05567e766af4681503054f445cafc4ef4c9509e4f53 | bioavailability_ma:cc2c81efbcd0b253ddbe79e7ec1cbbc1088ba2e150f1d70d3dff1d42d95845f4 | bioavailability_ma:60905da9ccc7e4d258e0c05567e766af4681503054f445cafc4ef4c9509e4f53 | PHLBKPHSAVXXEF-UHFFFAOYSA-N | VFLDPWHFBUODDF-FCXRPNKRSA-N | O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12 | COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","__unknown__","__unknown__","L3"] | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","__unknown__","__unknown__","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=AUC",
"Statistic type=arithmetic_mean",
"Study context=human volunteers, oral trazodone, single dose, two administrations per subject, subjects without dizziness",
"Source unit=ng·h/ml"
] | [
"Endpoint=AUC",
"Statistic type=arithmetic_mean",
"Study context=Healthy human, single oral dose, PLGA‐curcumin formulation",
"Source unit=ng·h/mL"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3.994 | 3.562174 | 0.431826 | 1.126815 | {
"nontransfer": 0.4581663896030538,
"transfer": 0.5418336103969462
} | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","__unknown__","__unknown__","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"auc_unspecified\",\"ng\\u00b7h/mL\",\"human\",\"__unknown__\",\"__unknown__\",\"L3\"]",
"que... | 6,213.8 | 0.383227 | 0.541834 | 1.126815 | 0.541834 | 0.458166 | query_disjoint_ratio_conflict_gated.v25 | 1 | false | 0.083333 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","__unknown__","__unknown__","L3"] | PHLBKPHSAVXXEF-UHFFFAOYSA-N | VFLDPWHFBUODDF-FCXRPNKRSA-N | O=c1n(CCCN2CCN(c3ccccc3)CC2)nc2ccccn12 | O=C(C=Cc1ccccc1)CC(=O)C=Cc1ccccc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "9862.8",
"display_unit_text": "ng·h/ml",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 9862.8,
"aggregate_max": 9862.8,
"aggregate_q1": 9862.8,
"aggr... | {
"aggregation_method": "individual_record",
"display_measurement_text": "3649.0",
"display_unit_text": "ng·h/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 3649,
"aggregate_max": 3649,
"aggregate_q1": 3649,
"aggregate_... | 167 | 159 | 45 | id | train_and_validation_exact_bucket.v24 | log10 | {"comparator_exposure":null,"confidence":0.95,"endpoint_name":"AUC","extra_details":null,"extraction_id":"ext_13","global_identifier":"SMILES:4041427","measurement_text":"9862.8","oral_dose":null,"paragraph_idx":68,"pmid":"29061081","qualifying_conditions":null,"smiles":"O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12","sou... | {"comparator_exposure":null,"confidence":0.95,"endpoint_name":"AUC","extra_details":null,"extraction_id":"ext_26","global_identifier":"SMILES:2087180","measurement_text":"3649.0","oral_dose":null,"paragraph_idx":82,"pmid":"27783266","qualifying_conditions":null,"smiles":"COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1... | L3 | oral_auc_cmax_exposure | sr_0ddb229cbcbd439fb9a74d20edac1b1e | sr_cb9a0bfca66146cc8c8247d1d35a301c | ["oral_exposure","auc_unspecified","ng·h/mL","human","__unknown__","__unknown__"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>O=C(NN1C(=O)[C@@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@@H]34)[C@@H]2C1=O)c1ccc(C(F)(F)F)cc1</SMILES>
- Endpoint: AUC
- Known source measurement: 13146.0
- Oral dose: 400 mg/day
- Statist... | (A) | train | dfee71aca724bfcddee81ed38262d4fea02be8618e4c0b7501b97d28205b7307 | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:cc2c81efbcd0b253ddbe79e7ec1cbbc1088ba2e150f1d70d3dff1d42d95845f4 | bioavailability_ma:8749fb79f9faf630246955ef3e7e4885d54d67d573b01a98479f3539905b3fa9 | bioavailability_ma:cc2c81efbcd0b253ddbe79e7ec1cbbc1088ba2e150f1d70d3dff1d42d95845f4 | bioavailability_ma:8749fb79f9faf630246955ef3e7e4885d54d67d573b01a98479f3539905b3fa9 | PHLBKPHSAVXXEF-UHFFFAOYSA-N | CSKDFZIMJXRJGH-VWLPUNTISA-N | O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12 | O=C(NN1C(=O)[C@@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@@H]34)[C@@H]2C1=O)c1ccc(C(F)(F)F)cc1 | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","__unknown__","__unknown__","L3"] | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","__unknown__","__unknown__","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=AUC",
"Statistic type=arithmetic_mean",
"Study context=human volunteers, oral trazodone, single dose, two administrations per subject, subjects without dizziness",
"Source unit=ng·h/ml"
] | [
"Endpoint=AUC",
"Oral dose=400 mg/day",
"Statistic type=arithmetic_mean",
"Study context=single daily oral dose in fed (non‐fasted) state, healthy male and female volunteers, day 1",
"Source unit=ng·h/ml"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 3.994 | 4.118794 | 0.124793 | 1.126815 | {
"nontransfer": 0.052524956646129106,
"transfer": 0.9474750433538709
} | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","__unknown__","__unknown__","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"auc_unspecified\",\"ng\\u00b7h/mL\",\"human\",\"__unknown__\",\"__unknown__\",\"L3\"]",
"que... | 3,283.2 | 0.110749 | 0.947475 | 1.126815 | 0.947475 | 0.052525 | query_disjoint_ratio_conflict_gated.v25 | 1 | true | 0.088608 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","__unknown__","__unknown__","L3"] | PHLBKPHSAVXXEF-UHFFFAOYSA-N | CSKDFZIMJXRJGH-VWLPUNTISA-N | O=c1n(CCCN2CCN(c3ccccc3)CC2)nc2ccccn12 | O=C(NN1C(=O)C2C3C=CC(C4CC34)C2C1=O)c1ccccc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "9862.8",
"display_unit_text": "ng·h/ml",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 9862.8,
"aggregate_max": 9862.8,
"aggregate_q1": 9862.8,
"aggr... | {
"aggregation_method": "individual_record",
"display_measurement_text": "13146.0",
"display_unit_text": "ng·h/ml",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 13146,
"aggregate_max": 13146,
"aggregate_q1": 13146,
"aggreg... | 167 | 159 | 45 | id | train_and_validation_exact_bucket.v24 | log10 | {"comparator_exposure":null,"confidence":0.95,"endpoint_name":"AUC","extra_details":null,"extraction_id":"ext_13","global_identifier":"SMILES:4041427","measurement_text":"9862.8","oral_dose":null,"paragraph_idx":68,"pmid":"29061081","qualifying_conditions":null,"smiles":"O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12","sou... | {"comparator_exposure":null,"confidence":0.96,"endpoint_name":"AUC","extra_details":null,"extraction_id":"ext_15","global_identifier":"SMILES:3528375","measurement_text":"13146.0","oral_dose":"400 mg/day","paragraph_idx":36,"pmid":"20385870","qualifying_conditions":null,"smiles":"O=C(NN1C(=O)[C@@H]2[C@@H]3C=C[C@@H]([C@... | L3 | oral_auc_cmax_exposure | sr_0ddb229cbcbd439fb9a74d20edac1b1e | sr_2e7064998e364e9490e92e6ce73752aa | ["oral_exposure","auc_unspecified","ng·h/mL","human","__unknown__","__unknown__"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1</SMILES>
- Endpoint: AUC0_t
- Extra details: Mean (SD) 9200 (2180) ng·h/mL
- Known source measureme... | (B) | train | 18df7ad62e51e2a701f4e5dbb6ac42d380cdd93fb68f727353fbf108ea77ebf6 | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:81e81fa004f520a45d67f23cceb5ee51fcd1201a764a4a0014a5d7499a5a8fc7 | bioavailability_ma:e5eff7fad284698b85564ebf41e718eda7b337193f0dc66662d53f648adb76fa | bioavailability_ma:81e81fa004f520a45d67f23cceb5ee51fcd1201a764a4a0014a5d7499a5a8fc7 | bioavailability_ma:e5eff7fad284698b85564ebf41e718eda7b337193f0dc66662d53f648adb76fa | MBBCVAKAJPKAKM-UHFFFAOYSA-N | OFZJKCQENFPZBH-UHFFFAOYSA-N | O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 | O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1 | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|60","L3"] | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|60","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=AUC0_t",
"Oral dose=60 mg single oral dose",
"Statistic type=arithmetic_mean",
"Study context=Japanese healthy volunteers, plasma, single oral dose (Day 7)",
"Source unit=ng·h/mL"
] | [
"Endpoint=AUC0_t",
"Oral dose=60 mg (single oral dose, fed)",
"Statistic type=arithmetic_mean",
"Study context=Japanese healthy volunteers, fed condition, plasma concentration",
"Source unit=ng·h/mL"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | far | 238 | 9,200 | 8,962 | 4,037.192662 | {
"nontransfer": 0.9999999875132008,
"transfer": 1.248679919030121e-8
} | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|60","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"auc_0_last_measurable\",\"ng\\u00b7h/mL\",\"human\",\"plasma\",\"mass|absolute|mg|60\",\"L3\"]",... | 8,962 | 2.219859 | 0 | 4,037.192662 | 0 | 1 | query_disjoint_ratio_conflict_gated.v25 | 0 | true | 0.098361 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|60","L3"] | MBBCVAKAJPKAKM-UHFFFAOYSA-N | OFZJKCQENFPZBH-UHFFFAOYSA-N | O=C(NC1CCN(CCCCC2c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccccc1 | O=C(Nc1nc(-c2cccs2)c(N2CCN(C3CCCCC3)CC2)s1)c1ccc(N2CCCCC2)nc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "238.0",
"display_unit_text": "ng·h/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 238,
"aggregate_max": 238,
"aggregate_q1": 238,
"aggregate_q3":... | {
"aggregation_method": "individual_record",
"display_measurement_text": "9200.0",
"display_unit_text": "ng·h/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 9200,
"aggregate_max": 9200,
"aggregate_q1": 9200,
"aggregate_... | 90 | 87 | 30 | id | train_and_validation_exact_bucket.v24 | identity | {"comparator_exposure":null,"confidence":0.99,"endpoint_name":"AUC0_t","extra_details":"Mean (SD) values","extraction_id":"ext_29","global_identifier":"SMILES:3511163","measurement_text":"238.0","oral_dose":"60 mg single oral dose","paragraph_idx":43,"pmid":"26686567","qualifying_conditions":null,"smiles":"O=C(NC1CCN(C... | {"comparator_exposure":null,"confidence":0.97,"endpoint_name":"AUC0_t","extra_details":"Mean (SD) 9200 (2180) ng·h/mL","extraction_id":"ext_11","global_identifier":"SMILES:3564520","measurement_text":"9200.0","oral_dose":"60 mg (single oral dose, fed)","paragraph_idx":43,"pmid":"28339166","qualifying_conditions":null,"... | L3 | oral_auc_cmax_exposure | sr_11bae800df704651870fb27cf83fd5ba | sr_d4c0e3b42b43450ba4f8ea121acb4499 | ["oral_exposure","auc_0_last_measurable","ng·h/mL","human","plasma","mass|absolute|mg|60"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3cc(Cl)ccc32)c(C)c1</SMILES>
- Endpoint: AUCt
- Extra details: mean ± SD = 2321 ± 634 ng·hr/mL
- Known source measurement: 2321.0
- Oral... | (B) | train | 89bb24fc20346505cda5c222dd6de864233638109bf7d006456badeb4de06656 | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:81e81fa004f520a45d67f23cceb5ee51fcd1201a764a4a0014a5d7499a5a8fc7 | bioavailability_ma:8c821029d204df2ac43c56abefc7924e796b7b858a8c0361a55c27fa939bfe3b | bioavailability_ma:81e81fa004f520a45d67f23cceb5ee51fcd1201a764a4a0014a5d7499a5a8fc7 | bioavailability_ma:8c821029d204df2ac43c56abefc7924e796b7b858a8c0361a55c27fa939bfe3b | MBBCVAKAJPKAKM-UHFFFAOYSA-N | GYHCTFXIZSNGJT-XMMPIXPASA-N | O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3cc(Cl)ccc32)c(C)c1 | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|60","L3"] | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|60","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=AUC0_t",
"Oral dose=60 mg single oral dose",
"Statistic type=arithmetic_mean",
"Study context=Japanese healthy volunteers, plasma, single oral dose (Day 7)",
"Source unit=ng·h/mL"
] | [
"Endpoint=AUCt",
"Oral dose=60 mg",
"Statistic type=arithmetic_mean",
"Study context=single oral dose, healthy male subjects, plasma, fasted condition",
"Source unit=ng·hr/mL"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | far | 238 | 2,321 | 2,083 | 4,037.192662 | {
"nontransfer": 0.7612465531811237,
"transfer": 0.23875344681887636
} | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|60","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"auc_0_last_measurable\",\"ng\\u00b7h/mL\",\"human\",\"plasma\",\"mass|absolute|mg|60\",\"L3\"]",... | 2,083 | 0.515953 | 0.238753 | 4,037.192662 | 0.238753 | 0.761247 | query_disjoint_ratio_conflict_gated.v25 | 0 | true | 0.165049 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|60","L3"] | MBBCVAKAJPKAKM-UHFFFAOYSA-N | GYHCTFXIZSNGJT-XMMPIXPASA-N | O=C(NC1CCN(CCCCC2c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccccc1 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "238.0",
"display_unit_text": "ng·h/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 238,
"aggregate_max": 238,
"aggregate_q1": 238,
"aggregate_q3":... | {
"aggregation_method": "individual_record",
"display_measurement_text": "2321.0",
"display_unit_text": "ng·hr/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2321,
"aggregate_max": 2321,
"aggregate_q1": 2321,
"aggregate... | 90 | 87 | 30 | id | train_and_validation_exact_bucket.v24 | identity | {"comparator_exposure":null,"confidence":0.99,"endpoint_name":"AUC0_t","extra_details":"Mean (SD) values","extraction_id":"ext_29","global_identifier":"SMILES:3511163","measurement_text":"238.0","oral_dose":"60 mg single oral dose","paragraph_idx":43,"pmid":"26686567","qualifying_conditions":null,"smiles":"O=C(NC1CCN(C... | {"comparator_exposure":null,"confidence":0.96,"endpoint_name":"AUCt","extra_details":"mean ± SD = 2321 ± 634 ng·hr/mL","extraction_id":"ext_14","global_identifier":"SMILES:2836838","measurement_text":"2321.0","oral_dose":"60 mg","paragraph_idx":43,"pmid":"22120090","qualifying_conditions":null,"smiles":"Cc1ccccc1C(=O)N... | L3 | oral_auc_cmax_exposure | sr_11bae800df704651870fb27cf83fd5ba | sr_be847971b33e420ba0e56776e49bce27 | ["oral_exposure","auc_0_last_measurable","ng·h/mL","human","plasma","mass|absolute|mg|60"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>C[C@@H]1[C@H](c2c(F)ccc(F)c2F)C[C@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F</SMILES>
- Endpoint: AUC0_t
- Extra details: N=8
- Known source measurement: 24... | (B) | train | a08f534cb7c9c7d8b318174ea30d572aec0cfea4734c748194d82f9bbee7453b | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:81e81fa004f520a45d67f23cceb5ee51fcd1201a764a4a0014a5d7499a5a8fc7 | bioavailability_ma:590f95d79a5708846555a40dc19136c3f5f704f4d7daaf0daa30d312518c3063 | bioavailability_ma:81e81fa004f520a45d67f23cceb5ee51fcd1201a764a4a0014a5d7499a5a8fc7 | bioavailability_ma:590f95d79a5708846555a40dc19136c3f5f704f4d7daaf0daa30d312518c3063 | MBBCVAKAJPKAKM-UHFFFAOYSA-N | QIVUCLWGARAQIO-OLIXTKCUSA-N | O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 | C[C@@H]1[C@H](c2c(F)ccc(F)c2F)C[C@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|60","L3"] | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|60","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=AUC0_t",
"Oral dose=60 mg single oral dose",
"Statistic type=arithmetic_mean",
"Study context=Japanese healthy volunteers, plasma, single oral dose (Day 7)",
"Source unit=ng·h/mL"
] | [
"Endpoint=AUC0_t",
"Oral dose=60 mg single dose",
"Statistic type=arithmetic_mean",
"Study context=healthy Japanese participants, single-dose oral administration, fasted state, plasma",
"Source unit=ng·h/mL"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | far | 238 | 2,471.6 | 2,233.6 | 4,037.192662 | {
"nontransfer": 0.822380179369302,
"transfer": 0.1776198206306981
} | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|60","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"auc_0_last_measurable\",\"ng\\u00b7h/mL\",\"human\",\"plasma\",\"mass|absolute|mg|60\",\"L3\"]",... | 2,233.6 | 0.553256 | 0.17762 | 4,037.192662 | 0.17762 | 0.82238 | query_disjoint_ratio_conflict_gated.v25 | 0 | true | 0.181818 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|60","L3"] | MBBCVAKAJPKAKM-UHFFFAOYSA-N | QIVUCLWGARAQIO-OLIXTKCUSA-N | O=C(NC1CCN(CCCCC2c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccccc1 | O=C(NC1CC(c2ccccc2)CNC1=O)c1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21 | {
"aggregation_method": "individual_record",
"display_measurement_text": "238.0",
"display_unit_text": "ng·h/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 238,
"aggregate_max": 238,
"aggregate_q1": 238,
"aggregate_q3":... | {
"aggregation_method": "individual_record",
"display_measurement_text": "2471.6",
"display_unit_text": "ng·h/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2471.6,
"aggregate_max": 2471.6,
"aggregate_q1": 2471.6,
"aggr... | 90 | 87 | 30 | id | train_and_validation_exact_bucket.v24 | identity | {"comparator_exposure":null,"confidence":0.99,"endpoint_name":"AUC0_t","extra_details":"Mean (SD) values","extraction_id":"ext_29","global_identifier":"SMILES:3511163","measurement_text":"238.0","oral_dose":"60 mg single oral dose","paragraph_idx":43,"pmid":"26686567","qualifying_conditions":null,"smiles":"O=C(NC1CCN(C... | {"comparator_exposure":null,"confidence":0.98,"endpoint_name":"AUC0_t","extra_details":"N=8","extraction_id":"ext_7","global_identifier":"SMILES:2494976","measurement_text":"2471.6","oral_dose":"60 mg single dose","paragraph_idx":47,"pmid":"39755896","qualifying_conditions":null,"smiles":"C[C@@H]1[C@H](c2c(F)ccc(F)c2F)... | L3 | oral_auc_cmax_exposure | sr_11bae800df704651870fb27cf83fd5ba | sr_e41565c093c04a959f2f5297b54b94b3 | ["oral_exposure","auc_0_last_measurable","ng·h/mL","human","plasma","mass|absolute|mg|60"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CC(C)(C)CNCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21</SMILES>
- Endpoint: AUC0_t
- Extra details: Day 1 of Part 2 (multiple‐dose cohort) but values refer to single‐dose administratio... | (A) | train | d5d65256ead7ed09d5213dc7f1d081b357eb246ba40eca33b2d1bc5f07af856e | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:81b24c3444e81631b1bfe6689f969c82954a1a4fd0f750584c87f5c65965a5a9 | bioavailability_ma:49c88555e996fce3d1d95a3854357dc34e33963145a10c820e94e29870421519 | bioavailability_ma:81b24c3444e81631b1bfe6689f969c82954a1a4fd0f750584c87f5c65965a5a9 | bioavailability_ma:49c88555e996fce3d1d95a3854357dc34e33963145a10c820e94e29870421519 | KWGRBVOPPLSCSI-WCBMZHEXSA-N | UYODNJZBUUEXPC-UHFFFAOYSA-N | CN[C@@H](C)[C@@H](O)c1ccccc1 | CC(C)(C)CNCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21 | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|30","L3"] | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|30","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=AUC0_t",
"Oral dose=30 mg pseudoephedrine hydrochloride (single oral suspension)",
"Qualifying conditions=fasted state (≥10 h overnight fast)",
"Statistic type=geometric_mean",
"Study context=18 healthy male subjects, fasted ≥10 h, single oral dose, suspension formulation, plasma matrix",
"Sourc... | [
"Endpoint=AUC0_t",
"Oral dose=30 mg oral dose, single dose, elderly subjects",
"Statistic type=geometric_mean",
"Study context=healthy elderly adults, plasma, single oral dose, Part 2 MAD cohort",
"Source unit=ng·h/mL"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 2.943692 | 2.883093 | 0.060599 | 0.71183 | {
"nontransfer": 0.04114304103154276,
"transfer": 0.9588569589684572
} | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|30","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"auc_0_last_measurable\",\"ng\\u00b7h/mL\",\"human\",\"plasma\",\"mass|absolute|mg|30\",\"L3\"]",... | 114.4 | 0.085131 | 0.958857 | 0.71183 | 0.958857 | 0.041143 | query_disjoint_ratio_conflict_gated.v25 | 1 | true | 0.052632 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|30","L3"] | KWGRBVOPPLSCSI-WCBMZHEXSA-N | UYODNJZBUUEXPC-UHFFFAOYSA-N | c1ccccc1 | c1ncc2nc(Sc3ccc4c(c3)OCO4)[nH]c2n1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "878.4",
"display_unit_text": "ng·h/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 878.4,
"aggregate_max": 878.4,
"aggregate_q1": 878.4,
"aggregat... | {
"aggregation_method": "individual_record",
"display_measurement_text": "764.0",
"display_unit_text": "ng·h/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 764,
"aggregate_max": 764,
"aggregate_q1": 764,
"aggregate_q3":... | 82 | 73 | 34 | id | train_and_validation_exact_bucket.v24 | log10 | {"comparator_exposure":"Reference‐B AUC0‐t = 842.8 ng·h/mL, ratio 97.7–111.0%","confidence":0.98,"endpoint_name":"AUC0_t","extra_details":null,"extraction_id":"ext_9","global_identifier":"SMILES:1840169","measurement_text":"878.4","oral_dose":"30 mg pseudoephedrine hydrochloride (single oral suspension)","paragraph_idx... | {"comparator_exposure":null,"confidence":0.97,"endpoint_name":"AUC0_t","extra_details":"Day 1 of Part 2 (multiple‐dose cohort) but values refer to single‐dose administration","extraction_id":"ext_54","global_identifier":"SMILES:511886","measurement_text":"764.0","oral_dose":"30 mg oral dose, single dose, elderly subjec... | L3 | oral_auc_cmax_exposure | sr_32cdbf4f83704c20930b54a7f480716c | sr_f10e81ec903741a48f84720b295c4343 | ["oral_exposure","auc_0_last_measurable","ng·h/mL","human","plasma","mass|absolute|mg|30"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CN(C)CCC=C1c2ccccc2C=Cc2ccccc21</SMILES>
- Endpoint: AUC0_t
- Known source measurement: 736.6
- Oral dose: 30 mg
- Statistic type: arithmetic_mean
- Study context: single oral d... | (A) | train | 0bf44699565b13adc3b96c0ee4bf7c363d65c1806a47e419d5431d1b11137c82 | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:81b24c3444e81631b1bfe6689f969c82954a1a4fd0f750584c87f5c65965a5a9 | bioavailability_ma:d3776334d0f6cc0fe271dbd1ce4a003ed7bb86c34b8a1cca52c329a1ca6a5f7b | bioavailability_ma:81b24c3444e81631b1bfe6689f969c82954a1a4fd0f750584c87f5c65965a5a9 | bioavailability_ma:d3776334d0f6cc0fe271dbd1ce4a003ed7bb86c34b8a1cca52c329a1ca6a5f7b | KWGRBVOPPLSCSI-WCBMZHEXSA-N | JURKNVYFZMSNLP-UHFFFAOYSA-N | CN[C@@H](C)[C@@H](O)c1ccccc1 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|30","L3"] | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|30","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=AUC0_t",
"Oral dose=30 mg pseudoephedrine hydrochloride (single oral suspension)",
"Qualifying conditions=fasted state (≥10 h overnight fast)",
"Statistic type=geometric_mean",
"Study context=18 healthy male subjects, fasted ≥10 h, single oral dose, suspension formulation, plasma matrix",
"Sourc... | [
"Endpoint=AUC0_t",
"Oral dose=30 mg",
"Statistic type=arithmetic_mean",
"Study context=single oral dose of cyclobenzaprine extended-release capsule in healthy adults, plasma",
"Source unit=ng·h/mL"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 2.943692 | 2.867232 | 0.076461 | 0.71183 | {
"nontransfer": 0.050890019122788344,
"transfer": 0.9491099808772117
} | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|30","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"auc_0_last_measurable\",\"ng\\u00b7h/mL\",\"human\",\"plasma\",\"mass|absolute|mg|30\",\"L3\"]",... | 141.8 | 0.107414 | 0.94911 | 0.71183 | 0.94911 | 0.05089 | query_disjoint_ratio_conflict_gated.v25 | 1 | true | 0.136364 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|30","L3"] | KWGRBVOPPLSCSI-WCBMZHEXSA-N | JURKNVYFZMSNLP-UHFFFAOYSA-N | c1ccccc1 | C=C1c2ccccc2C=Cc2ccccc21 | {
"aggregation_method": "individual_record",
"display_measurement_text": "878.4",
"display_unit_text": "ng·h/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 878.4,
"aggregate_max": 878.4,
"aggregate_q1": 878.4,
"aggregat... | {
"aggregation_method": "individual_record",
"display_measurement_text": "736.6",
"display_unit_text": "ng·h/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 736.6,
"aggregate_max": 736.6,
"aggregate_q1": 736.6,
"aggregat... | 82 | 73 | 34 | id | train_and_validation_exact_bucket.v24 | log10 | {"comparator_exposure":"Reference‐B AUC0‐t = 842.8 ng·h/mL, ratio 97.7–111.0%","confidence":0.98,"endpoint_name":"AUC0_t","extra_details":null,"extraction_id":"ext_9","global_identifier":"SMILES:1840169","measurement_text":"878.4","oral_dose":"30 mg pseudoephedrine hydrochloride (single oral suspension)","paragraph_idx... | {"comparator_exposure":null,"confidence":1.0,"endpoint_name":"AUC0_t","extra_details":null,"extraction_id":"ext_2","global_identifier":"SMILES:1718353","measurement_text":"736.6","oral_dose":"30 mg","paragraph_idx":2,"pmid":"19243711","qualifying_conditions":null,"smiles":"CN(C)CCC=C1c2ccccc2C=Cc2ccccc21","source_recor... | L3 | oral_auc_cmax_exposure | sr_32cdbf4f83704c20930b54a7f480716c | sr_dbe1c26643864ff9bba1131aa12f90fc | ["oral_exposure","auc_0_last_measurable","ng·h/mL","human","plasma","mass|absolute|mg|30"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>C[C@@H]1[C@H](c2c(F)ccc(F)c2F)C[C@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F</SMILES>
- Endpoint: AUC0_t
- Extra details: N=7
- Known source measurement: 14... | (A) | train | 021eb8d186f09c2a86bddd326e99f92f353caaaf90fdc6baaa67e31d700e1111 | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:81b24c3444e81631b1bfe6689f969c82954a1a4fd0f750584c87f5c65965a5a9 | bioavailability_ma:3ba82d453d1aead4f91c4ff4e5ce69ba4ea75019ab206449c93b5067735472b3 | bioavailability_ma:81b24c3444e81631b1bfe6689f969c82954a1a4fd0f750584c87f5c65965a5a9 | bioavailability_ma:3ba82d453d1aead4f91c4ff4e5ce69ba4ea75019ab206449c93b5067735472b3 | KWGRBVOPPLSCSI-WCBMZHEXSA-N | QIVUCLWGARAQIO-OLIXTKCUSA-N | CN[C@@H](C)[C@@H](O)c1ccccc1 | C[C@@H]1[C@H](c2c(F)ccc(F)c2F)C[C@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|30","L3"] | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|30","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=AUC0_t",
"Oral dose=30 mg pseudoephedrine hydrochloride (single oral suspension)",
"Qualifying conditions=fasted state (≥10 h overnight fast)",
"Statistic type=geometric_mean",
"Study context=18 healthy male subjects, fasted ≥10 h, single oral dose, suspension formulation, plasma matrix",
"Sourc... | [
"Endpoint=AUC0_t",
"Oral dose=30 mg once-daily (steady state)",
"Statistic type=arithmetic_mean",
"Study context=healthy Japanese participants, once‐daily oral administration, steady‐state (days 3–8), plasma",
"Source unit=ng·h/mL"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 2.943692 | 3.171346 | 0.227654 | 0.71183 | {
"nontransfer": 0.30962991817157337,
"transfer": 0.6903700818284266
} | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|30","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"auc_0_last_measurable\",\"ng\\u00b7h/mL\",\"human\",\"plasma\",\"mass|absolute|mg|30\",\"L3\"]",... | 605.3 | 0.319815 | 0.69037 | 0.71183 | 0.69037 | 0.30963 | query_disjoint_ratio_conflict_gated.v25 | 1 | true | 0.086022 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","auc_0_last_measurable","ng\u00b7h/mL","human","plasma","mass|absolute|mg|30","L3"] | KWGRBVOPPLSCSI-WCBMZHEXSA-N | QIVUCLWGARAQIO-OLIXTKCUSA-N | c1ccccc1 | O=C(NC1CC(c2ccccc2)CNC1=O)c1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21 | {
"aggregation_method": "individual_record",
"display_measurement_text": "878.4",
"display_unit_text": "ng·h/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 878.4,
"aggregate_max": 878.4,
"aggregate_q1": 878.4,
"aggregat... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1483.7",
"display_unit_text": "ng·h/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1483.7,
"aggregate_max": 1483.7,
"aggregate_q1": 1483.7,
"aggr... | 82 | 73 | 34 | id | train_and_validation_exact_bucket.v24 | log10 | {"comparator_exposure":"Reference‐B AUC0‐t = 842.8 ng·h/mL, ratio 97.7–111.0%","confidence":0.98,"endpoint_name":"AUC0_t","extra_details":null,"extraction_id":"ext_9","global_identifier":"SMILES:1840169","measurement_text":"878.4","oral_dose":"30 mg pseudoephedrine hydrochloride (single oral suspension)","paragraph_idx... | {"comparator_exposure":null,"confidence":0.98,"endpoint_name":"AUC0_t","extra_details":"N=7","extraction_id":"ext_18","global_identifier":"SMILES:2494976","measurement_text":"1483.7","oral_dose":"30 mg once-daily (steady state)","paragraph_idx":49,"pmid":"39755896","qualifying_conditions":null,"smiles":"C[C@@H]1[C@H](c... | L3 | oral_auc_cmax_exposure | sr_32cdbf4f83704c20930b54a7f480716c | sr_96ac5fb0e5f144208d700576f04204d0 | ["oral_exposure","auc_0_last_measurable","ng·h/mL","human","plasma","mass|absolute|mg|30"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl</SMILES>
- Endpoint: AUC
- Known source measurement: 691.0
- Oral dose: 25 mg
- Statistic type: arithmetic_mean
- Study context: healthy adult vol... | (A) | train | 19247d8e839f3a86b5913ca3a391029890f5b09d00914c10b38b6eb77d18d469 | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:16ce4d5d6cc035e65d199e8d7c33af49355d391447c456bad8c4aee23f5842af | bioavailability_ma:d815737d609dcdab834edbcd7ff52494ebdb87fd5fc11554476bc911e38dcef9 | bioavailability_ma:16ce4d5d6cc035e65d199e8d7c33af49355d391447c456bad8c4aee23f5842af | bioavailability_ma:d815737d609dcdab834edbcd7ff52494ebdb87fd5fc11554476bc911e38dcef9 | TYYIOZHLPIBQCJ-UHFFFAOYSA-N | DCOPUUMXTXDBNB-UHFFFAOYSA-N | Nc1ccc(C(c2ccc(N)cc2)C(Cl)(Cl)Cl)cc1 | O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","mass|absolute|mg|25","L3"] | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","mass|absolute|mg|25","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=AUC",
"Oral dose=25 mg",
"Statistic type=median",
"Study context=human plasma, single oral dose",
"Source unit=h·ng/ml"
] | [
"Endpoint=AUC",
"Oral dose=25 mg",
"Statistic type=arithmetic_mean",
"Study context=healthy adult volunteers, single oral dose, fasted condition, plasma sampling, single‐dose crossover study",
"Source unit=ng·h/mL"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 2.665581 | 2.839478 | 0.173897 | 0.819984 | {
"nontransfer": 0.13247370799433378,
"transfer": 0.8675262920056662
} | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","mass|absolute|mg|25","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"auc_unspecified\",\"ng\\u00b7h/mL\",\"human\",\"plasma\",\"mass|absolute|mg|25\",\"L3\"]",
"... | 228 | 0.212074 | 0.867526 | 0.819984 | 0.867526 | 0.132474 | query_disjoint_ratio_conflict_gated.v25 | 1 | true | 0.086957 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","mass|absolute|mg|25","L3"] | TYYIOZHLPIBQCJ-UHFFFAOYSA-N | DCOPUUMXTXDBNB-UHFFFAOYSA-N | c1ccc(Cc2ccccc2)cc1 | c1ccc(Nc2ccccc2)cc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "463.0",
"display_unit_text": "h·ng/ml",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 463,
"aggregate_max": 463,
"aggregate_q1": 463,
"aggregate_q3":... | {
"aggregation_method": "individual_record",
"display_measurement_text": "691.0",
"display_unit_text": "ng·h/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 691,
"aggregate_max": 691,
"aggregate_q1": 691,
"aggregate_q3":... | 53 | 46 | 23 | id | train_and_validation_exact_bucket.v24 | log10 | {"comparator_exposure":null,"confidence":0.98,"endpoint_name":"AUC","extra_details":"Table 3 median AUC0–24.","extraction_id":"ext_29","global_identifier":"SMILES:3344659","measurement_text":"463.0","oral_dose":"25 mg","paragraph_idx":48,"pmid":"27431234","qualifying_conditions":null,"smiles":"Nc1ccc(C(c2ccc(N)cc2)C(Cl... | {"comparator_exposure":null,"confidence":0.97,"endpoint_name":"AUC","extra_details":null,"extraction_id":"ext_1","global_identifier":"SMILES:3627865","measurement_text":"691.0","oral_dose":"25 mg","paragraph_idx":4,"pmid":"19922894","qualifying_conditions":null,"smiles":"O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl","source_record_i... | L3 | oral_auc_cmax_exposure | sr_85eb97ce43534d1eac28963e4b214784 | sr_fec930de81b149dc9ca6cfb554b97e51 | ["oral_exposure","auc_unspecified","ng·h/mL","human","plasma","mass|absolute|mg|25"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CN[C@@H](C)[C@H](O)c1ccccc1</SMILES>
- Endpoint: AUC
- Extra details: Mean ± SD, n = 14
- Known source measurement: 698.8
- Oral dose: 25 mg ephedrine (single oral dose)
- Stati... | (A) | train | 2b6aa9acaba9464bd393dd0edb105a0971e9af6a50b5f232864f4fac62de68f8 | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:16ce4d5d6cc035e65d199e8d7c33af49355d391447c456bad8c4aee23f5842af | bioavailability_ma:c933ec375421ccf226ce292cfe6ea0d4d683aba182bb95d3756959dfbb00b605 | bioavailability_ma:16ce4d5d6cc035e65d199e8d7c33af49355d391447c456bad8c4aee23f5842af | bioavailability_ma:c933ec375421ccf226ce292cfe6ea0d4d683aba182bb95d3756959dfbb00b605 | TYYIOZHLPIBQCJ-UHFFFAOYSA-N | KWGRBVOPPLSCSI-WPRPVWTQSA-N | Nc1ccc(C(c2ccc(N)cc2)C(Cl)(Cl)Cl)cc1 | CN[C@@H](C)[C@H](O)c1ccccc1 | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","mass|absolute|mg|25","L3"] | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","mass|absolute|mg|25","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=AUC",
"Oral dose=25 mg",
"Statistic type=median",
"Study context=human plasma, single oral dose",
"Source unit=h·ng/ml"
] | [
"Endpoint=AUC",
"Oral dose=25 mg ephedrine (single oral dose)",
"Statistic type=arithmetic_mean",
"Study context=human, plasma, single dose, fasting (standard conditions)",
"Source unit=ng·h/mL"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 2.665581 | 2.844353 | 0.178772 | 0.819984 | {
"nontransfer": 0.13945654663738682,
"transfer": 0.8605434533626132
} | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","mass|absolute|mg|25","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"auc_unspecified\",\"ng\\u00b7h/mL\",\"human\",\"plasma\",\"mass|absolute|mg|25\",\"L3\"]",
"... | 235.8 | 0.218019 | 0.860543 | 0.819984 | 0.860543 | 0.139457 | query_disjoint_ratio_conflict_gated.v25 | 1 | true | 0.171429 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","mass|absolute|mg|25","L3"] | TYYIOZHLPIBQCJ-UHFFFAOYSA-N | KWGRBVOPPLSCSI-WPRPVWTQSA-N | c1ccc(Cc2ccccc2)cc1 | c1ccccc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "463.0",
"display_unit_text": "h·ng/ml",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 463,
"aggregate_max": 463,
"aggregate_q1": 463,
"aggregate_q3":... | {
"aggregation_method": "individual_record",
"display_measurement_text": "698.8",
"display_unit_text": "ng·h/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 698.8,
"aggregate_max": 698.8,
"aggregate_q1": 698.8,
"aggregat... | 53 | 46 | 23 | id | train_and_validation_exact_bucket.v24 | log10 | {"comparator_exposure":null,"confidence":0.98,"endpoint_name":"AUC","extra_details":"Table 3 median AUC0–24.","extraction_id":"ext_29","global_identifier":"SMILES:3344659","measurement_text":"463.0","oral_dose":"25 mg","paragraph_idx":48,"pmid":"27431234","qualifying_conditions":null,"smiles":"Nc1ccc(C(c2ccc(N)cc2)C(Cl... | {"comparator_exposure":null,"confidence":0.95,"endpoint_name":"AUC","extra_details":"Mean ± SD, n = 14","extraction_id":"ext_6","global_identifier":"SMILES:1840200","measurement_text":"698.8","oral_dose":"25 mg ephedrine (single oral dose)","paragraph_idx":37,"pmid":"15060505","qualifying_conditions":null,"smiles":"CN[... | L3 | oral_auc_cmax_exposure | sr_85eb97ce43534d1eac28963e4b214784 | sr_ac444ac707e14333bdaee9637b03388b | ["oral_exposure","auc_unspecified","ng·h/mL","human","plasma","mass|absolute|mg|25"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CC(C)(O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2c1</SMILES>
- Endpoint: AUC
- Known source measurement: 967.0
- Oral dose: 25 mg qd
- Statistic type: arithmetic_mean
- S... | (A) | train | 79b880763758241127d248dbc4a92c0e6a24e7ae0c795f97ecbe55b077aaccf3 | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:16ce4d5d6cc035e65d199e8d7c33af49355d391447c456bad8c4aee23f5842af | bioavailability_ma:48c69484bd22f867f0eadabdcf85bd5159ead42b603c0b0619ebfce3e639152d | bioavailability_ma:16ce4d5d6cc035e65d199e8d7c33af49355d391447c456bad8c4aee23f5842af | bioavailability_ma:48c69484bd22f867f0eadabdcf85bd5159ead42b603c0b0619ebfce3e639152d | TYYIOZHLPIBQCJ-UHFFFAOYSA-N | ORDHXXHTBUZRCN-NTEUORMPSA-N | Nc1ccc(C(c2ccc(N)cc2)C(Cl)(Cl)Cl)cc1 | CC(C)(O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2c1 | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","mass|absolute|mg|25","L3"] | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","mass|absolute|mg|25","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=AUC",
"Oral dose=25 mg",
"Statistic type=median",
"Study context=human plasma, single oral dose",
"Source unit=h·ng/ml"
] | [
"Endpoint=AUC",
"Oral dose=25 mg qd",
"Statistic type=arithmetic_mean",
"Study context=healthy participants, plasma, day 1 (single dose)",
"Source unit=h·ng/mL"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 2.665581 | 2.985426 | 0.319845 | 0.819984 | {
"nontransfer": 0.4751786611740343,
"transfer": 0.5248213388259657
} | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","mass|absolute|mg|25","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"auc_unspecified\",\"ng\\u00b7h/mL\",\"human\",\"plasma\",\"mass|absolute|mg|25\",\"L3\"]",
"... | 504 | 0.390063 | 0.524821 | 0.819984 | 0.524821 | 0.475179 | query_disjoint_ratio_conflict_gated.v25 | 1 | false | 0.061538 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","auc_unspecified","ng\u00b7h/mL","human","plasma","mass|absolute|mg|25","L3"] | TYYIOZHLPIBQCJ-UHFFFAOYSA-N | ORDHXXHTBUZRCN-NTEUORMPSA-N | c1ccc(Cc2ccccc2)cc1 | C(=Cc1nc2ccc(-c3ccccc3)cc2[nH]1)c1ccccc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "463.0",
"display_unit_text": "h·ng/ml",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 463,
"aggregate_max": 463,
"aggregate_q1": 463,
"aggregate_q3":... | {
"aggregation_method": "individual_record",
"display_measurement_text": "967.0",
"display_unit_text": "h·ng/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 967,
"aggregate_max": 967,
"aggregate_q1": 967,
"aggregate_q3":... | 53 | 46 | 23 | id | train_and_validation_exact_bucket.v24 | log10 | {"comparator_exposure":null,"confidence":0.98,"endpoint_name":"AUC","extra_details":"Table 3 median AUC0–24.","extraction_id":"ext_29","global_identifier":"SMILES:3344659","measurement_text":"463.0","oral_dose":"25 mg","paragraph_idx":48,"pmid":"27431234","qualifying_conditions":null,"smiles":"Nc1ccc(C(c2ccc(N)cc2)C(Cl... | {"comparator_exposure":null,"confidence":0.99,"endpoint_name":"AUC","extra_details":null,"extraction_id":"ext_9","global_identifier":"SMILES:605839","measurement_text":"967.0","oral_dose":"25 mg qd","paragraph_idx":58,"pmid":"29794306","qualifying_conditions":null,"smiles":"CC(C)(O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F... | L3 | oral_auc_cmax_exposure | sr_85eb97ce43534d1eac28963e4b214784 | sr_ae3795c05bfd45f99c4673881b717d31 | ["oral_exposure","auc_unspecified","ng·h/mL","human","plasma","mass|absolute|mg|25"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F</SMILES>
- Endpoint: Cmax
- Extra details: Reference: Herman, G.A. et al.
- Known source measurement: 928.66
- Oral dose: ... | (A) | train | 466bd66f9c4d7fff7a043309b0fed12b063518bb797af4cf506c9c907b589b37 | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:f3d3fd743263ee69b18ee1bae30a4c4c990101d5f34649fecbe40325a07ab570 | bioavailability_ma:c3d2f2511f5e3d16bc7c27763d87e222e79d3e59ac71cd6e9d9ce3fa9c78b685 | bioavailability_ma:f3d3fd743263ee69b18ee1bae30a4c4c990101d5f34649fecbe40325a07ab570 | bioavailability_ma:c3d2f2511f5e3d16bc7c27763d87e222e79d3e59ac71cd6e9d9ce3fa9c78b685 | IKKXOSBHLYMWAE-QRPMWFLTSA-N | MFFMDFFZMYYVKS-SECBINFHSA-N | C#C[C@]1(CO)O[C@@H](n2cnc3c(N)nc(F)nc32)C[C@@H]1O | N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F | ["oral_exposure","maximum_concentration","ng/mL","__unknown__","__unknown__","mass|absolute|mg|200","L3"] | ["oral_exposure","maximum_concentration","ng/mL","__unknown__","__unknown__","mass|absolute|mg|200","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=Cmax",
"Oral dose=200 mg solution",
"Statistic type=arithmetic_mean",
"Study context=single ascending oral dose, solution formulation, Study 1",
"Source unit=ng/mL"
] | [
"Endpoint=Cmax",
"Oral dose=200 mg BID",
"Study context=Oral dosing, 200 mg twice daily, literature data",
"Source unit=ng/mL"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 986 | 928.66 | 57.34 | 1,241.594594 | {
"nontransfer": 0.02824534936996337,
"transfer": 0.9717546506300366
} | ["oral_exposure","maximum_concentration","ng/mL","__unknown__","__unknown__","mass|absolute|mg|200","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"maximum_concentration\",\"ng/mL\",\"__unknown__\",\"__unknown__\",\"mass|absolute|mg|200\",\"L3\... | 57.34 | 0.046183 | 0.971755 | 1,241.594594 | 0.971755 | 0.028245 | query_disjoint_ratio_conflict_gated.v25 | 1 | true | 0.123596 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","maximum_concentration","ng/mL","__unknown__","__unknown__","mass|absolute|mg|200","L3"] | IKKXOSBHLYMWAE-QRPMWFLTSA-N | MFFMDFFZMYYVKS-SECBINFHSA-N | c1ncc2ncn(C3CCCO3)c2n1 | O=C(CCCc1ccccc1)N1CCn2cnnc2C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "986.0",
"display_unit_text": "ng/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 986,
"aggregate_max": 986,
"aggregate_q1": 986,
"aggregate_q3": 9... | {
"aggregation_method": "individual_record",
"display_measurement_text": "928.66",
"display_unit_text": "ng/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 928.66,
"aggregate_max": 928.66,
"aggregate_q1": 928.66,
"aggreg... | 53 | 50 | 20 | id | train_and_validation_exact_bucket.v24 | identity | {"comparator_exposure":null,"confidence":0.99,"endpoint_name":"Cmax","extra_details":"CV% = 32%","extraction_id":"ext_28","global_identifier":"SMILES:55105","measurement_text":"986.0","oral_dose":"200 mg solution","paragraph_idx":51,"pmid":"40261081","qualifying_conditions":null,"smiles":"C#C[C@]1(CO)O[C@@H](n2cnc3c(N)... | {"comparator_exposure":null,"confidence":0.96,"endpoint_name":"Cmax","extra_details":"Reference: Herman, G.A. et al.","extraction_id":"ext_16","global_identifier":"SMILES:3296168","measurement_text":"928.66","oral_dose":"200 mg BID","paragraph_idx":68,"pmid":"24142388","qualifying_conditions":null,"smiles":"N[C@@H](CC(... | L3 | oral_auc_cmax_exposure | sr_b015ac506564456cafa3b7d94ed85edc | sr_8b1621ea25c3492387b6c1be8f5d47a0 | ["oral_exposure","maximum_concentration","ng/mL","__unknown__","__unknown__","mass|absolute|mg|200"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CO[C@]1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CC[C@H](c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1</SMILES>
- Endpoint: Cmax
- Extra details: CV 53.6%
- Known source measurement: 648.0
- Oral... | (A) | train | 8b985af633433073e8e339d698dc58ce726a2df3f50187cdd0f3c8a1eef2b973 | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:f3d3fd743263ee69b18ee1bae30a4c4c990101d5f34649fecbe40325a07ab570 | bioavailability_ma:fc1cf994bfe71f51bd5b74f55df820fff77c2f513f4a4b8990ccf96d0454498c | bioavailability_ma:f3d3fd743263ee69b18ee1bae30a4c4c990101d5f34649fecbe40325a07ab570 | bioavailability_ma:fc1cf994bfe71f51bd5b74f55df820fff77c2f513f4a4b8990ccf96d0454498c | IKKXOSBHLYMWAE-QRPMWFLTSA-N | GBLBJPZSROAGMF-RWYJCYHVSA-N | C#C[C@]1(CO)O[C@@H](n2cnc3c(N)nc(F)nc32)C[C@@H]1O | CO[C@]1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CC[C@H](c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1 | ["oral_exposure","maximum_concentration","ng/mL","__unknown__","__unknown__","mass|absolute|mg|200","L3"] | ["oral_exposure","maximum_concentration","ng/mL","__unknown__","__unknown__","mass|absolute|mg|200","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=Cmax",
"Oral dose=200 mg solution",
"Statistic type=arithmetic_mean",
"Study context=single ascending oral dose, solution formulation, Study 1",
"Source unit=ng/mL"
] | [
"Endpoint=Cmax",
"Oral dose=200 mg pralsetinib",
"Statistic type=geometric_mean",
"Source unit=ng/mL"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 986 | 648 | 338 | 1,241.594594 | {
"nontransfer": 0.21794295477819348,
"transfer": 0.7820570452218065
} | ["oral_exposure","maximum_concentration","ng/mL","__unknown__","__unknown__","mass|absolute|mg|200","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"maximum_concentration\",\"ng/mL\",\"__unknown__\",\"__unknown__\",\"mass|absolute|mg|200\",\"L3\... | 338 | 0.272231 | 0.782057 | 1,241.594594 | 0.782057 | 0.217943 | query_disjoint_ratio_conflict_gated.v25 | 1 | true | 0.116071 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","maximum_concentration","ng/mL","__unknown__","__unknown__","mass|absolute|mg|200","L3"] | IKKXOSBHLYMWAE-QRPMWFLTSA-N | GBLBJPZSROAGMF-RWYJCYHVSA-N | c1ncc2ncn(C3CCCO3)c2n1 | O=C(NCc1ccc(-n2cccn2)nc1)C1CCC(c2nccc(Nc3cc[nH]n3)n2)CC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "986.0",
"display_unit_text": "ng/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 986,
"aggregate_max": 986,
"aggregate_q1": 986,
"aggregate_q3": 9... | {
"aggregation_method": "individual_record",
"display_measurement_text": "648.0",
"display_unit_text": "ng/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 648,
"aggregate_max": 648,
"aggregate_q1": 648,
"aggregate_q3": 6... | 53 | 50 | 20 | id | train_and_validation_exact_bucket.v24 | identity | {"comparator_exposure":null,"confidence":0.99,"endpoint_name":"Cmax","extra_details":"CV% = 32%","extraction_id":"ext_28","global_identifier":"SMILES:55105","measurement_text":"986.0","oral_dose":"200 mg solution","paragraph_idx":51,"pmid":"40261081","qualifying_conditions":null,"smiles":"C#C[C@]1(CO)O[C@@H](n2cnc3c(N)... | {"comparator_exposure":null,"confidence":0.98,"endpoint_name":"Cmax","extra_details":"CV 53.6%","extraction_id":"ext_5","global_identifier":"SMILES:2059838","measurement_text":"648.0","oral_dose":"200 mg pralsetinib","paragraph_idx":30,"pmid":"38807449","qualifying_conditions":null,"smiles":"CO[C@]1(C(=O)N[C@@H](C)c2cc... | L3 | oral_auc_cmax_exposure | sr_b015ac506564456cafa3b7d94ed85edc | sr_240f139be8da46dd9f9cd22ccc3c6dc0 | ["oral_exposure","maximum_concentration","ng/mL","__unknown__","__unknown__","mass|absolute|mg|200"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>COc1cccc(C2(O)CCCCC2CN(C)C)c1</SMILES>
- Comparator exposure: vs. 631.97 ng ml−1 for 100 mg tramadol alone and 661.24 ng ml−1 for tramadol + celecoxib
- Endpoint: Cmax
- Extra d... | (A) | train | 0a4583738dfedd967ef001ce6dd8826a428f63af9ba62902aa0ebefb29726127 | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:f3d3fd743263ee69b18ee1bae30a4c4c990101d5f34649fecbe40325a07ab570 | bioavailability_ma:7b327706e9955adf94c8733fbe5face651a9c062ef9880c03e5d93d4953988f0 | bioavailability_ma:f3d3fd743263ee69b18ee1bae30a4c4c990101d5f34649fecbe40325a07ab570 | bioavailability_ma:7b327706e9955adf94c8733fbe5face651a9c062ef9880c03e5d93d4953988f0 | IKKXOSBHLYMWAE-QRPMWFLTSA-N | TVYLLZQTGLZFBW-UHFFFAOYSA-N | C#C[C@]1(CO)O[C@@H](n2cnc3c(N)nc(F)nc32)C[C@@H]1O | COc1cccc(C2(O)CCCCC2CN(C)C)c1 | ["oral_exposure","maximum_concentration","ng/mL","__unknown__","__unknown__","mass|absolute|mg|200","L3"] | ["oral_exposure","maximum_concentration","ng/mL","__unknown__","__unknown__","mass|absolute|mg|200","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=Cmax",
"Oral dose=200 mg solution",
"Statistic type=arithmetic_mean",
"Study context=single ascending oral dose, solution formulation, Study 1",
"Source unit=ng/mL"
] | [
"Endpoint=Cmax",
"Oral dose=200 mg CTC (multiple dose, steady state)",
"Statistic type=arithmetic_mean",
"Study context=steady‐state, repeated oral dosing",
"Source unit=ng ml^-1"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 986 | 551.19 | 434.81 | 1,241.594594 | {
"nontransfer": 0.3780175576924807,
"transfer": 0.6219824423075193
} | ["oral_exposure","maximum_concentration","ng/mL","__unknown__","__unknown__","mass|absolute|mg|200","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"maximum_concentration\",\"ng/mL\",\"__unknown__\",\"__unknown__\",\"mass|absolute|mg|200\",\"L3\... | 434.81 | 0.350203 | 0.621982 | 1,241.594594 | 0.621982 | 0.378018 | query_disjoint_ratio_conflict_gated.v25 | 1 | true | 0.083333 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","maximum_concentration","ng/mL","__unknown__","__unknown__","mass|absolute|mg|200","L3"] | IKKXOSBHLYMWAE-QRPMWFLTSA-N | TVYLLZQTGLZFBW-UHFFFAOYSA-N | c1ncc2ncn(C3CCCO3)c2n1 | c1ccc(C2CCCCC2)cc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "986.0",
"display_unit_text": "ng/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 986,
"aggregate_max": 986,
"aggregate_q1": 986,
"aggregate_q3": 9... | {
"aggregation_method": "individual_record",
"display_measurement_text": "551.19",
"display_unit_text": "ng ml^-1",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 551.19,
"aggregate_max": 551.19,
"aggregate_q1": 551.19,
"agg... | 53 | 50 | 20 | id | train_and_validation_exact_bucket.v24 | identity | {"comparator_exposure":null,"confidence":0.99,"endpoint_name":"Cmax","extra_details":"CV% = 32%","extraction_id":"ext_28","global_identifier":"SMILES:55105","measurement_text":"986.0","oral_dose":"200 mg solution","paragraph_idx":51,"pmid":"40261081","qualifying_conditions":null,"smiles":"C#C[C@]1(CO)O[C@@H](n2cnc3c(N)... | {"comparator_exposure":"vs. 631.97 ng ml−1 for 100 mg tramadol alone and 661.24 ng ml−1 for tramadol + celecoxib","confidence":0.97,"endpoint_name":"Cmax","extra_details":"Values are geometric LS‐means; 90 % CI ratios reported.","extraction_id":"ext_66","global_identifier":"SMILES:2363227","measurement_text":"551.19","... | L3 | oral_auc_cmax_exposure | sr_b015ac506564456cafa3b7d94ed85edc | sr_014deee8c1aa4d7289d78423c4aa6b46 | ["oral_exposure","maximum_concentration","ng/mL","__unknown__","__unknown__","mass|absolute|mg|200"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl</SMILES>
- Endpoint: AUC_tau
- Extra details: CV 27.8%
- Known source measurement: 388.17
- Oral dose: 35 mg/m^2 BID
- Qualifying conditions: ... | (A) | train | 49c7405485e19edda5e6935a23ca0ad2cd8fc2bc3df61ad531e6fbb4a5e86fac | -1 | null | -1 | null | null | null | bioavailability_ma | oral_exposure | minority_first_separate_family_caps_repair_binary_75_25.v24.2 | bioavailability_ma:f1e06ebc4cf03942517389f620c5e136eb0de592556c590fa4f9bdfcc4ba416e | bioavailability_ma:6b74cc85526fbf6b29848eb62743afceada1aa1276d6a11157b2c622f1d91f81 | bioavailability_ma:f1e06ebc4cf03942517389f620c5e136eb0de592556c590fa4f9bdfcc4ba416e | bioavailability_ma:6b74cc85526fbf6b29848eb62743afceada1aa1276d6a11157b2c622f1d91f81 | RSMYYINTIXFRCJ-JDLVMGNASA-N | QQHMKNYGKVVGCZ-UHFFFAOYSA-N | CN(C)C[C@@H]1CCCC(O)[C@H]1c1cccc(O)c1 | N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl | ["oral_exposure","auc_over_dosing_interval","ng\u00b7h/mL","human","plasma","__unknown__","L3"] | ["oral_exposure","auc_over_dosing_interval","ng\u00b7h/mL","human","plasma","__unknown__","L3"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"Endpoint=AUC_tau",
"Statistic type=arithmetic_mean",
"Study context=Healthy human volunteers, single oral dose of co‐crystal CTC, plasma",
"Source unit=ng·h/ml"
] | [
"Endpoint=AUC_tau",
"Oral dose=35 mg/m^2 BID",
"Qualifying conditions=Mild renal impairment",
"Statistic type=geometric_mean",
"Study context=Day 12, mild renal impairment cohort, human plasma after oral BID dosing",
"Source unit=h·ng/mL"
] | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 2.85335 | 2.589022 | 0.264328 | 0.896086 | {
"nontransfer": 0.2591881810880956,
"transfer": 0.7408118189119044
} | ["oral_exposure","auc_over_dosing_interval","ng\u00b7h/mL","human","plasma","__unknown__","L3"] | L3 | continuous | {
"calibration_sha256": "78a383d12a035ce812cdbf99c111945a56c53b4b8ce6af493140c73c9f93d523",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"oral_exposure\",\"auc_over_dosing_interval\",\"ng\\u00b7h/mL\",\"human\",\"plasma\",\"__unknown__\",\"L3\"]",
... | 325.258 | 0.294981 | 0.740812 | 0.896086 | 0.740812 | 0.259188 | query_disjoint_ratio_conflict_gated.v25 | 1 | true | 0.059701 | -1 | -1 | -1 | oral_exposure | ["oral_exposure","auc_over_dosing_interval","ng\u00b7h/mL","human","plasma","__unknown__","L3"] | RSMYYINTIXFRCJ-JDLVMGNASA-N | QQHMKNYGKVVGCZ-UHFFFAOYSA-N | c1ccc(C2CCCCC2)cc1 | N=C1CCCN1Cc1cc(=O)[nH]c(=O)[nH]1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "713.428",
"display_unit_text": "ng·h/ml",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 713.428,
"aggregate_max": 713.428,
"aggregate_q1": 713.428,
"... | {
"aggregation_method": "individual_record",
"display_measurement_text": "388.17",
"display_unit_text": "h·ng/mL",
"display_transform_id": "source_native",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 388.17,
"aggregate_max": 388.17,
"aggregate_q1": 388.17,
"aggr... | 133 | 112 | 51 | id | train_and_validation_exact_bucket.v24 | log10 | {"comparator_exposure":null,"confidence":0.95,"endpoint_name":"AUC_tau","extra_details":"Mean AUCτ; coefficient of variation 31.1%","extraction_id":"ext_26","global_identifier":"SMILES:1729741","measurement_text":"713.428","oral_dose":null,"paragraph_idx":48,"pmid":"28810061","qualifying_conditions":null,"smiles":"CN(C... | {"comparator_exposure":null,"confidence":0.95,"endpoint_name":"AUC_tau","extra_details":"CV 27.8%","extraction_id":"ext_47","global_identifier":"SMILES:3154184","measurement_text":"388.17","oral_dose":"35 mg/m^2 BID","paragraph_idx":63,"pmid":"34097100","qualifying_conditions":"Mild renal impairment","smiles":"N=C1CCCN... | L3 | oral_auc_cmax_exposure | sr_7a4dd8b386a84206929de8e21a5d76d7 | sr_d525419f6a9a4b6cbc679c9b2aa57b9d | ["oral_exposure","auc_over_dosing_interval","ng·h/mL","human","plasma","__unknown__"] |
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Oral bioavailability V25
Independent L2-L6 releases derived from the frozen consolidated oral V24.1 splits. Record degree is six separately for query and reference roles. Parent molecule budgets remain 4096 per role, level, and binary/nonbinary family. Minority-first sampling, compatible-endpoint repair, and final binary 75/25 trimming are retained. Low degree and binary trimming can leave records unused; see record_coverage.json.
The entire official validation and test connected scaffold universes are excluded from training across all levels, including records not selected as evaluation queries. Evaluation membership and reference ordering match oral V24.1: 500 total queries per level per split, Morgan top-50 ID references, and complete OOD pools.
Conflict exclusions, support thresholds, reviewed identity/log10 geometry, and the ratio gate <=0.5 (undefined rejected) are preserved. Test measurements only participate in the inherited eligibility gate, not training target fitting. Numeric targets retain center 0.4 SD and temperature 0.1. Binary soft targets are refitted globally within each level from the final numeric training pairs, and all training, validation, and test rows are rendered using those updated targets. Internal v24.2 sampler/schema names identify reused algorithms, not the release.
Level: L3
Pair rows: {'train': 227254, 'validation_ranking': 16071, 'test_ranking': 17646}
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