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>O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1</SMILES>
- Assay format: in_vivo_animal
- Biological system context: Male C57BL/6J mice, 2-3 months old, in vivo; m... | (A) | train | 367b12d648de5d61ba0c0b08a94d46d3cf72f18d92e1d733e7ada134b8a0c944 | -1 | null | -1 | null | null | null | dili | dili_v3 | limited_balanced_parent_morgan_first.v28_safety | dili:e95b60eec6736d3b87d0d1a110d065283935c315862ab97eab1215d5ccceb86f | dili:51532c46b483b0f9a8d73b49375551eea075129f5de34ea06c719c95ac522f90 | dili:e95b60eec6736d3b87d0d1a110d065283935c315862ab97eab1215d5ccceb86f | dili:51532c46b483b0f9a8d73b49375551eea075129f5de34ea06c719c95ac522f90 | XOAAWQZATWQOTB-UHFFFAOYSA-N | SGIWFELWJPNFDH-UHFFFAOYSA-N | NCCS(=O)(=O)O | O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_format=in_vivo_animal",
"biological_system_context=APAP-treated hamsters (Mesocricetus auratus), in vivo, three to six animals per group; intact in vivo system, intrinsically metabolically competent.",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric... | [
"assay_format=in_vivo_animal",
"biological_system_context=Male C57BL/6J mice, 2-3 months old, in vivo; metabolic competence: intact in vivo (intrinsically competent)",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile flow rate",
"endpoint_name=biliar... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 7.72 | 7.8 | 0.08 | 5.5845 | {
"nontransfer": 0.020699148178055293,
"transfer": 0.9793008518219447
} | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | L4 | continuous | {
"calibration_sha256": "13f33377c33a07d1b94973183adf82613c4b9458c606175e723190967780e412",
"groups": {
"assay_concept": "L4",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v3\",\"biliary_secretion_or_bile_flow\",\"\\u00b5L/min/100 g body weight\",\"__unknown__\",\"bile flow\",\"L4... | 0.08 | 0.014325 | 0.979301 | 5.5845 | 0.979301 | 0.020699 | safety_canonical_v27 | 1 | true | 0.108696 | -1 | -1 | -1 | indirect_record | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | XOAAWQZATWQOTB-UHFFFAOYSA-N | SGIWFELWJPNFDH-UHFFFAOYSA-N | parent:XOAAWQZATWQOTB-UHFFFAOYSA-N | O=S(=O)(Nc1ccccc1)c1ccccc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "7.72",
"display_unit_text": "µL/min/100 g body weight",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 7.72,
"aggregate_max": 7.72,
"aggregate_q1... | {
"aggregation_method": "individual_record",
"display_measurement_text": "7.8",
"display_unit_text": "µL/min/100 g body weight",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 7.8,
"aggregate_max": 7.8,
"aggregate_q1": ... | 17 | 17 | 14 | id | train_exact_bucket.v27_safety | identity | {"assay_format":"in_vivo_animal","biological_system_context":"APAP-treated hamsters (Mesocricetus auratus), in vivo, three to six animals per group; intact in vivo system, intrinsically metabolically competent.","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.75,"effe... | {"assay_format":"in_vivo_animal","biological_system_context":"Male C57BL/6J mice, 2-3 months old, in vivo; metabolic competence: intact in vivo (intrinsically competent)","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect_direction":"no_change","endpoint_metric... | L4 | gold_v1 | sr_dd3de8c090584b9d9289080b8289b1a5 | sr_6140b053a4284068ba3638c97504989b | ["dili_v3","biliary_secretion_or_bile_flow","µL/min/100 g body weight","__unknown__","bile flow"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>NCCC(=O)O</SMILES>
- Assay format: in_vivo_animal
- Biological system context: Rattus norvegicus, in vivo bile collection, bile-salt-free isotope studies, β-alanine pretreated r... | (B) | train | 4357f774729ec0a666bee512cb67925905ca3660b842a747763dbe7ce9ffa7c5 | -1 | null | -1 | null | null | null | dili | dili_v3 | limited_balanced_parent_morgan_first.v28_safety | dili:642f46db98fcfefd64b860bfa2d29ab4e81b49349142e96c276dc0184d6017ef | dili:5efdf6a9f460b4828ceaf1c93eb1b3a761f982e94766e34784424d001483ec37 | dili:642f46db98fcfefd64b860bfa2d29ab4e81b49349142e96c276dc0184d6017ef | dili:5efdf6a9f460b4828ceaf1c93eb1b3a761f982e94766e34784424d001483ec37 | DNIAPMSPPWPWGF-UHFFFAOYSA-N | UCMIRNVEIXFBKS-UHFFFAOYSA-N | CC(O)CO | NCCC(=O)O | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_format=in_vivo_animal",
"biological_system_context=Rat (Rattus norvegicus) in vivo, treatment given over several days; intact in vivo system treated as metabolically competent.",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile-acid-independent ... | [
"assay_format=in_vivo_animal",
"biological_system_context=Rattus norvegicus, in vivo bile collection, bile-salt-free isotope studies, β-alanine pretreated rats versus control rats",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile flow rate",
"endpoi... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | far | 4.79 | 21.95 | 17.16 | 5.5845 | {
"nontransfer": 0.9999999999975328,
"transfer": 2.4672732875983316e-12
} | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | L4 | continuous | {
"calibration_sha256": "13f33377c33a07d1b94973183adf82613c4b9458c606175e723190967780e412",
"groups": {
"assay_concept": "L4",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v3\",\"biliary_secretion_or_bile_flow\",\"\\u00b5L/min/100 g body weight\",\"__unknown__\",\"bile flow\",\"L4... | 17.16 | 3.072791 | 0 | 5.5845 | 0 | 1 | safety_canonical_v27 | 0 | true | 0.095238 | -1 | -1 | -1 | indirect_record | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | DNIAPMSPPWPWGF-UHFFFAOYSA-N | UCMIRNVEIXFBKS-UHFFFAOYSA-N | parent:DNIAPMSPPWPWGF-UHFFFAOYSA-N | parent:UCMIRNVEIXFBKS-UHFFFAOYSA-N | {
"aggregation_method": "individual_record",
"display_measurement_text": "4.79",
"display_unit_text": "µL/min/100 g body weight",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 4.79,
"aggregate_max": 4.79,
"aggregate_q1... | {
"aggregation_method": "individual_record",
"display_measurement_text": "21.95",
"display_unit_text": "µL/min/100 g body weight",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 21.95,
"aggregate_max": 21.95,
"aggregate... | 17 | 17 | 14 | id | train_exact_bucket.v27_safety | identity | {"assay_format":"in_vivo_animal","biological_system_context":"Rat (Rattus norvegicus) in vivo, treatment given over several days; intact in vivo system treated as metabolically competent.","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect_direction":"no_change... | {"assay_format":"in_vivo_animal","biological_system_context":"Rattus norvegicus, in vivo bile collection, bile-salt-free isotope studies, \u03b2-alanine pretreated rats versus control rats","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.8,"effect_direction":"increase... | L4 | gold_v1 | sr_b051effdb7c548f7ac1a6aa1a01994a4 | sr_a1ac8787621642a595cf64eb57aa3bf9 | ["dili_v3","biliary_secretion_or_bile_flow","µL/min/100 g body weight","__unknown__","bile flow"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C</SMILES>
- Assay format: in_vivo_animal
- Biological system context: In vivo male... | (B) | train | b3b558b7e1f8d68459a27b2f5005f54ff74eade67591dcf851bc5ed9005f8753 | -1 | null | -1 | null | null | null | dili | dili_v3 | limited_balanced_parent_morgan_first.v28_safety | dili:32689c2b57e4228d1a9519ea72deb8452513798897810c8dd6f15cfefe32a277 | dili:585216628833c092b974ed7686b0d83aa37d683d966c2bc8891183857cdba3f3 | dili:32689c2b57e4228d1a9519ea72deb8452513798897810c8dd6f15cfefe32a277 | dili:585216628833c092b974ed7686b0d83aa37d683d966c2bc8891183857cdba3f3 | YPHMISFOHDHNIV-FSZOTQKASA-N | DKPMWHFRUGMUKF-GDYCBZMLSA-N | C[C@@H]1C[C@@H]([C@H](O)CC2CC(=O)NC(=O)C2)C(=O)[C@@H](C)C1 | C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_format=in_vivo_animal",
"biological_system_context=Male rats (Rattus norvegicus), in vivo, timed bile collection; six animals per group",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile flow rate",
"endpoint_name=biliary_secretion_or_bile_flo... | [
"assay_format=in_vivo_animal",
"biological_system_context=In vivo male Wistar rats (each n=3), metabolically competent, infusion study measuring bile flow, bile salt excretion rate and bicarbonate concentration",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_me... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | far | 4.06 | 18.76 | 14.7 | 9.325017 | {
"nontransfer": 0.9999922207778621,
"transfer": 0.000007779222137872104
} | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | L4 | continuous | {
"calibration_sha256": "13f33377c33a07d1b94973183adf82613c4b9458c606175e723190967780e412",
"groups": {
"assay_concept": "L4",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v3\",\"biliary_secretion_or_bile_flow\",\"\\u00b5L/min/100 g\",\"__unknown__\",\"bile flow\",\"L4\"]",
"q... | 14.7 | 1.576405 | 0.000008 | 9.325017 | 0.000008 | 0.999992 | safety_canonical_v27 | 0 | true | 0.15942 | -1 | -1 | -1 | indirect_record | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | YPHMISFOHDHNIV-FSZOTQKASA-N | DKPMWHFRUGMUKF-GDYCBZMLSA-N | O=C1CC(CCC2CCCCC2=O)CC(=O)N1 | C1CCC2C(C1)CCC1C3CCCC3CCC21 | {
"aggregation_method": "individual_record",
"display_measurement_text": "4.06",
"display_unit_text": "µL/min/100 g",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 4.06,
"aggregate_max": 4.06,
"aggregate_q1": 4.06,
"... | {
"aggregation_method": "individual_record",
"display_measurement_text": "18.76",
"display_unit_text": "µL/min/100 g",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 18.76,
"aggregate_max": 18.76,
"aggregate_q1": 18.76,... | 21 | 15 | 10 | id | train_exact_bucket.v27_safety | identity | {"assay_format":"in_vivo_animal","biological_system_context":"Male rats (Rattus norvegicus), in vivo, timed bile collection; six animals per group","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect_direction":"increase","endpoint_metric":"bile flow rate","endp... | {"assay_format":"in_vivo_animal","biological_system_context":"In vivo male Wistar rats (each n=3), metabolically competent, infusion study measuring bile flow, bile salt excretion rate and bicarbonate concentration","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.85,"... | L4 | gold_v1 | sr_d2a6f3c9e2c444fd94496ea3fdd30f9e | sr_2e7e6b62948e4bee8840080aec5c1f56 | ["dili_v3","biliary_secretion_or_bile_flow","µL/min/100 g","__unknown__","bile flow"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>NCCC(=O)O</SMILES>
- Assay format: in_vivo_animal
- Biological system context: Rattus norvegicus, in vivo bile collection, bile-salt-free isotope studies, β-alanine pretreated r... | (B) | train | 508d1da3572c82b3ab870edfebdf37a08e34d79913ffb0939bb50151f4b6072d | -1 | null | -1 | null | null | null | dili | dili_v3 | limited_balanced_parent_morgan_first.v28_safety | dili:3b7fbe8e584b862aef792235b051e8922b1d110d451c2852bf679ea6aeb04779 | dili:5efdf6a9f460b4828ceaf1c93eb1b3a761f982e94766e34784424d001483ec37 | dili:3b7fbe8e584b862aef792235b051e8922b1d110d451c2852bf679ea6aeb04779 | dili:5efdf6a9f460b4828ceaf1c93eb1b3a761f982e94766e34784424d001483ec37 | MUBZPKHOEPUJKR-UHFFFAOYSA-N | UCMIRNVEIXFBKS-UHFFFAOYSA-N | O=C(O)C(=O)O | NCCC(=O)O | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_format=in_vivo_animal",
"biological_system_context=Rat (Rattus norvegicus) in vivo with biliary collection; co-infused bile salts given intravenously; metabolically competent intact system.",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile flow... | [
"assay_format=in_vivo_animal",
"biological_system_context=Rattus norvegicus, in vivo bile collection, bile-salt-free isotope studies, β-alanine pretreated rats versus control rats",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile flow rate",
"endpoi... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | far | 8.57 | 21.95 | 13.38 | 5.5845 | {
"nontransfer": 0.9999999978529535,
"transfer": 2.1470465456579016e-9
} | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | L4 | continuous | {
"calibration_sha256": "13f33377c33a07d1b94973183adf82613c4b9458c606175e723190967780e412",
"groups": {
"assay_concept": "L4",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v3\",\"biliary_secretion_or_bile_flow\",\"\\u00b5L/min/100 g body weight\",\"__unknown__\",\"bile flow\",\"L4... | 13.38 | 2.395917 | 0 | 5.5845 | 0 | 1 | safety_canonical_v27 | 0 | true | 0.266667 | -1 | -1 | -1 | indirect_record | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | MUBZPKHOEPUJKR-UHFFFAOYSA-N | UCMIRNVEIXFBKS-UHFFFAOYSA-N | parent:MUBZPKHOEPUJKR-UHFFFAOYSA-N | parent:UCMIRNVEIXFBKS-UHFFFAOYSA-N | {
"aggregation_method": "individual_record",
"display_measurement_text": "8.57",
"display_unit_text": "µL/min/100 g body weight",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 8.57,
"aggregate_max": 8.57,
"aggregate_q1... | {
"aggregation_method": "individual_record",
"display_measurement_text": "21.95",
"display_unit_text": "µL/min/100 g body weight",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 21.95,
"aggregate_max": 21.95,
"aggregate... | 17 | 17 | 14 | id | train_exact_bucket.v27_safety | identity | {"assay_format":"in_vivo_animal","biological_system_context":"Rat (Rattus norvegicus) in vivo with biliary collection; co-infused bile salts given intravenously; metabolically competent intact system.","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.85,"effect_directi... | {"assay_format":"in_vivo_animal","biological_system_context":"Rattus norvegicus, in vivo bile collection, bile-salt-free isotope studies, \u03b2-alanine pretreated rats versus control rats","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.8,"effect_direction":"increase... | L4 | gold_v1 | sr_1e5923f03ece45689f88a1bd7f47a771 | sr_a1ac8787621642a595cf64eb57aa3bf9 | ["dili_v3","biliary_secretion_or_bile_flow","µL/min/100 g body weight","__unknown__","bile flow"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C</SMILES>
- Assay format: in_vivo_animal
- Biological system context: Rat (Rattus norvegicus) in viv... | (B) | train | 26c7d1192d7c3c31161686049e8c1648361779ebab5a49a2b50c7b6c212c638b | -1 | null | -1 | null | null | null | dili | dili_v3 | limited_balanced_parent_morgan_first.v28_safety | dili:6293265c0525f91cec51f01a12c2c59d8c90200c1337eedfb51a47c8937bb65d | dili:182e1713eb9965d45677af92b3e9f1e05f2bd9cce55eea95950a5c4623b57081 | dili:6293265c0525f91cec51f01a12c2c59d8c90200c1337eedfb51a47c8937bb65d | dili:182e1713eb9965d45677af92b3e9f1e05f2bd9cce55eea95950a5c4623b57081 | XAGFODPZIPBFFR-UHFFFAOYSA-N | MECYMOKOKLARJV-PCNQZJBLSA-N | [Al] | C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_format=in_vivo_animal",
"biological_system_context=Adult rats (Rattus norvegicus), in vivo, intact organism; Al-intoxication model; bile flow collected under basal conditions.",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile flow rate",
"end... | [
"assay_format=in_vivo_animal",
"biological_system_context=Rat (Rattus norvegicus) in vivo with biliary collection; bile salt infused intravenously; metabolically competent intact system.",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile flow rate",
... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | far | 4.25 | 0.27 | 3.98 | 5.5845 | {
"nontransfer": 0.9579875585110286,
"transfer": 0.042012441488971396
} | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | L4 | continuous | {
"calibration_sha256": "13f33377c33a07d1b94973183adf82613c4b9458c606175e723190967780e412",
"groups": {
"assay_concept": "L4",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v3\",\"biliary_secretion_or_bile_flow\",\"\\u00b5L/min/100 g body weight\",\"__unknown__\",\"bile flow\",\"L4... | 3.98 | 0.712687 | 0.042012 | 5.5845 | 0.042012 | 0.957988 | safety_canonical_v27 | 0 | true | 0 | -1 | -1 | -1 | indirect_record | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | XAGFODPZIPBFFR-UHFFFAOYSA-N | MECYMOKOKLARJV-PCNQZJBLSA-N | parent:XAGFODPZIPBFFR-UHFFFAOYSA-N | C1=C2CCCCC2C2CCC3CCCC3C2C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "4.25",
"display_unit_text": "µL/min/100 g body weight",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 4.25,
"aggregate_max": 4.25,
"aggregate_q1... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.27",
"display_unit_text": "µL/min/100 g body weight",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.27,
"aggregate_max": 0.27,
"aggregate_q1... | 17 | 17 | 14 | id | train_exact_bucket.v27_safety | identity | {"assay_format":"in_vivo_animal","biological_system_context":"Adult rats (Rattus norvegicus), in vivo, intact organism; Al-intoxication model; bile flow collected under basal conditions.","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect_direction":"decrease",... | {"assay_format":"in_vivo_animal","biological_system_context":"Rat (Rattus norvegicus) in vivo with biliary collection; bile salt infused intravenously; metabolically competent intact system.","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect_direction":"decrea... | L4 | gold_v1 | sr_5829e25f0c084de3a9890aecb7e138c8 | sr_5916d18874cd46a487a6aef7541223af | ["dili_v3","biliary_secretion_or_bile_flow","µL/min/100 g body weight","__unknown__","bile flow"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1</SMILES>
- Assay format: in_vivo_animal
- Biological system context: Male C57BL/6J mice, 2-3 months old, in vivo; m... | (A) | train | 5b31f5acc37c270ed37a7a6f15c0d0ce9096652e19945ba0acc3276994ab407b | -1 | null | -1 | null | null | null | dili | dili_v3 | limited_balanced_parent_morgan_first.v28_safety | dili:12ac9f43e5181b1a9d82fe21da0fb6145b6d579a65d1f315991994d183a60977 | dili:51532c46b483b0f9a8d73b49375551eea075129f5de34ea06c719c95ac522f90 | dili:12ac9f43e5181b1a9d82fe21da0fb6145b6d579a65d1f315991994d183a60977 | dili:51532c46b483b0f9a8d73b49375551eea075129f5de34ea06c719c95ac522f90 | DDBREPKUVSBGFI-UHFFFAOYSA-N | SGIWFELWJPNFDH-UHFFFAOYSA-N | CCC1(c2ccccc2)C(=O)NC(=O)NC1=O | O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_format=in_vivo_animal",
"biological_system_context=Rat (Rattus norvegicus) in vivo, treatment given over several days; intact in vivo system treated as metabolically competent.",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile-acid-independent ... | [
"assay_format=in_vivo_animal",
"biological_system_context=Male C57BL/6J mice, 2-3 months old, in vivo; metabolic competence: intact in vivo (intrinsically competent)",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile flow rate",
"endpoint_name=biliar... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 6.61 | 7.8 | 1.19 | 5.5845 | {
"nontransfer": 0.13364566452300097,
"transfer": 0.866354335476999
} | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | L4 | continuous | {
"calibration_sha256": "13f33377c33a07d1b94973183adf82613c4b9458c606175e723190967780e412",
"groups": {
"assay_concept": "L4",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v3\",\"biliary_secretion_or_bile_flow\",\"\\u00b5L/min/100 g body weight\",\"__unknown__\",\"bile flow\",\"L4... | 1.19 | 0.21309 | 0.866354 | 5.5845 | 0.866354 | 0.133646 | safety_canonical_v27 | 1 | true | 0.148148 | -1 | -1 | -1 | indirect_record | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | DDBREPKUVSBGFI-UHFFFAOYSA-N | SGIWFELWJPNFDH-UHFFFAOYSA-N | O=C1NC(=O)C(c2ccccc2)C(=O)N1 | O=S(=O)(Nc1ccccc1)c1ccccc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "6.61",
"display_unit_text": "µL/min/100 g body weight",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 6.61,
"aggregate_max": 6.61,
"aggregate_q1... | {
"aggregation_method": "individual_record",
"display_measurement_text": "7.8",
"display_unit_text": "µL/min/100 g body weight",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 7.8,
"aggregate_max": 7.8,
"aggregate_q1": ... | 17 | 17 | 14 | id | train_exact_bucket.v27_safety | identity | {"assay_format":"in_vivo_animal","biological_system_context":"Rat (Rattus norvegicus) in vivo, treatment given over several days; intact in vivo system treated as metabolically competent.","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect_direction":"increase"... | {"assay_format":"in_vivo_animal","biological_system_context":"Male C57BL/6J mice, 2-3 months old, in vivo; metabolic competence: intact in vivo (intrinsically competent)","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect_direction":"no_change","endpoint_metric... | L4 | gold_v1 | sr_5f1a4bc38132448192f150870527230c | sr_6140b053a4284068ba3638c97504989b | ["dili_v3","biliary_secretion_or_bile_flow","µL/min/100 g body weight","__unknown__","bile flow"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CC(O)CO</SMILES>
- Assay format: in_vivo_animal
- Biological system context: Rat (Rattus norvegicus) in vivo, treatment given over several days; intact in vivo system treated as... | (A) | train | 285cb61729d846d904c34ec140c0626a69c39715d4feb7483cabcb40adf9b099 | -1 | null | -1 | null | null | null | dili | dili_v3 | limited_balanced_parent_morgan_first.v28_safety | dili:fdc0a5f33f0b9fee0aedc74bd2f7b99068b88362c0f38190e05bfc81aac2472a | dili:642f46db98fcfefd64b860bfa2d29ab4e81b49349142e96c276dc0184d6017ef | dili:fdc0a5f33f0b9fee0aedc74bd2f7b99068b88362c0f38190e05bfc81aac2472a | dili:642f46db98fcfefd64b860bfa2d29ab4e81b49349142e96c276dc0184d6017ef | XAGFODPZIPBFFR-UHFFFAOYSA-N | DNIAPMSPPWPWGF-UHFFFAOYSA-N | [Al] | CC(O)CO | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_format=in_vivo_animal",
"biological_system_context=Rattus norvegicus rats, chronic Al-intoxication model, in vivo basal bile collection, n=6; intrinsically metabolically competent in vivo system.",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bil... | [
"assay_format=in_vivo_animal",
"biological_system_context=Rat (Rattus norvegicus) in vivo, treatment given over several days; intact in vivo system treated as metabolically competent.",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile-acid-independent ... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 4.25 | 4.79 | 0.54 | 5.5845 | {
"nontransfer": 0.04595545192358885,
"transfer": 0.9540445480764111
} | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | L4 | continuous | {
"calibration_sha256": "13f33377c33a07d1b94973183adf82613c4b9458c606175e723190967780e412",
"groups": {
"assay_concept": "L4",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v3\",\"biliary_secretion_or_bile_flow\",\"\\u00b5L/min/100 g body weight\",\"__unknown__\",\"bile flow\",\"L4... | 0.54 | 0.096696 | 0.954045 | 5.5845 | 0.954045 | 0.045955 | safety_canonical_v27 | 1 | true | 0 | -1 | -1 | -1 | indirect_record | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | XAGFODPZIPBFFR-UHFFFAOYSA-N | DNIAPMSPPWPWGF-UHFFFAOYSA-N | parent:XAGFODPZIPBFFR-UHFFFAOYSA-N | parent:DNIAPMSPPWPWGF-UHFFFAOYSA-N | {
"aggregation_method": "individual_record",
"display_measurement_text": "4.25",
"display_unit_text": "µL/min/100 g body weight",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 4.25,
"aggregate_max": 4.25,
"aggregate_q1... | {
"aggregation_method": "individual_record",
"display_measurement_text": "4.79",
"display_unit_text": "µL/min/100 g body weight",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 4.79,
"aggregate_max": 4.79,
"aggregate_q1... | 17 | 17 | 14 | id | train_exact_bucket.v27_safety | identity | {"assay_format":"in_vivo_animal","biological_system_context":"Rattus norvegicus rats, chronic Al-intoxication model, in vivo basal bile collection, n=6; intrinsically metabolically competent in vivo system.","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.88,"effect_d... | {"assay_format":"in_vivo_animal","biological_system_context":"Rat (Rattus norvegicus) in vivo, treatment given over several days; intact in vivo system treated as metabolically competent.","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect_direction":"no_change... | L4 | gold_v1 | sr_1447743d61614aa7b100609c04fb224c | sr_b051effdb7c548f7ac1a6aa1a01994a4 | ["dili_v3","biliary_secretion_or_bile_flow","µL/min/100 g body weight","__unknown__","bile flow"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>NCCS(=O)(=O)O</SMILES>
- Assay format: in_vivo_animal
- Biological system context: APAP-treated hamsters (Mesocricetus auratus), in vivo, three to six animals per group; intact ... | (B) | train | b64ea15e29bbfe6b4b2eeaad45b1b7f2b43446db95ea56eb1c3ed592cc22aea3 | -1 | null | -1 | null | null | null | dili | dili_v3 | limited_balanced_parent_morgan_first.v28_safety | dili:5efdf6a9f460b4828ceaf1c93eb1b3a761f982e94766e34784424d001483ec37 | dili:e95b60eec6736d3b87d0d1a110d065283935c315862ab97eab1215d5ccceb86f | dili:5efdf6a9f460b4828ceaf1c93eb1b3a761f982e94766e34784424d001483ec37 | dili:e95b60eec6736d3b87d0d1a110d065283935c315862ab97eab1215d5ccceb86f | UCMIRNVEIXFBKS-UHFFFAOYSA-N | XOAAWQZATWQOTB-UHFFFAOYSA-N | NCCC(=O)O | NCCS(=O)(=O)O | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_format=in_vivo_animal",
"biological_system_context=Rattus norvegicus, in vivo bile collection, bile-salt-free isotope studies, β-alanine pretreated rats versus control rats",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile flow rate",
"endpoi... | [
"assay_format=in_vivo_animal",
"biological_system_context=APAP-treated hamsters (Mesocricetus auratus), in vivo, three to six animals per group; intact in vivo system, intrinsically metabolically competent.",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | far | 21.95 | 7.72 | 14.23 | 5.5845 | {
"nontransfer": 0.9999999995313864,
"transfer": 4.686135624580185e-10
} | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | L4 | continuous | {
"calibration_sha256": "13f33377c33a07d1b94973183adf82613c4b9458c606175e723190967780e412",
"groups": {
"assay_concept": "L4",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v3\",\"biliary_secretion_or_bile_flow\",\"\\u00b5L/min/100 g body weight\",\"__unknown__\",\"bile flow\",\"L4... | 14.23 | 2.548124 | 0 | 5.5845 | 0 | 1 | safety_canonical_v27 | 0 | true | 0.285714 | -1 | -1 | -1 | indirect_record | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | UCMIRNVEIXFBKS-UHFFFAOYSA-N | XOAAWQZATWQOTB-UHFFFAOYSA-N | parent:UCMIRNVEIXFBKS-UHFFFAOYSA-N | parent:XOAAWQZATWQOTB-UHFFFAOYSA-N | {
"aggregation_method": "individual_record",
"display_measurement_text": "21.95",
"display_unit_text": "µL/min/100 g body weight",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 21.95,
"aggregate_max": 21.95,
"aggregate... | {
"aggregation_method": "individual_record",
"display_measurement_text": "7.72",
"display_unit_text": "µL/min/100 g body weight",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 7.72,
"aggregate_max": 7.72,
"aggregate_q1... | 17 | 17 | 14 | id | train_exact_bucket.v27_safety | identity | {"assay_format":"in_vivo_animal","biological_system_context":"Rattus norvegicus, in vivo bile collection, bile-salt-free isotope studies, \u03b2-alanine pretreated rats versus control rats","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.8,"effect_direction":"increase... | {"assay_format":"in_vivo_animal","biological_system_context":"APAP-treated hamsters (Mesocricetus auratus), in vivo, three to six animals per group; intact in vivo system, intrinsically metabolically competent.","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.75,"effe... | L4 | gold_v1 | sr_a1ac8787621642a595cf64eb57aa3bf9 | sr_dd3de8c090584b9d9289080b8289b1a5 | ["dili_v3","biliary_secretion_or_bile_flow","µL/min/100 g body weight","__unknown__","bile flow"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CC(O)CO</SMILES>
- Assay format: in_vivo_animal
- Biological system context: Rat (Rattus norvegicus) in vivo, treatment given over several days; intact in vivo system treated as... | (A) | train | 3d0113ffa4f9bd4a2224d788aba8a3bed3d7e7ffde2aaaa0fe6fa8b3599b473d | -1 | null | -1 | null | null | null | dili | dili_v3 | limited_balanced_parent_morgan_first.v28_safety | dili:9efa179c73816a18f1a7e820124cab39565b7cf7e91fee502d68e5fed1f83075 | dili:642f46db98fcfefd64b860bfa2d29ab4e81b49349142e96c276dc0184d6017ef | dili:9efa179c73816a18f1a7e820124cab39565b7cf7e91fee502d68e5fed1f83075 | dili:642f46db98fcfefd64b860bfa2d29ab4e81b49349142e96c276dc0184d6017ef | GVJHHUAWPYXKBD-IEOSBIPESA-N | DNIAPMSPPWPWGF-UHFFFAOYSA-N | Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 | CC(O)CO | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_format=in_vivo_animal",
"biological_system_context=Rattus norvegicus rats, chronic Al-intoxication model with Vit E coadministration, in vivo basal bile collection, n=6.",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile flow rate",
"endpoint_... | [
"assay_format=in_vivo_animal",
"biological_system_context=Rat (Rattus norvegicus) in vivo, treatment given over several days; intact in vivo system treated as metabolically competent.",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile-acid-independent ... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 6.51 | 4.79 | 1.72 | 5.5845 | {
"nontransfer": 0.28494840607207894,
"transfer": 0.7150515939279211
} | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | L4 | continuous | {
"calibration_sha256": "13f33377c33a07d1b94973183adf82613c4b9458c606175e723190967780e412",
"groups": {
"assay_concept": "L4",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v3\",\"biliary_secretion_or_bile_flow\",\"\\u00b5L/min/100 g body weight\",\"__unknown__\",\"bile flow\",\"L4... | 1.72 | 0.307995 | 0.715052 | 5.5845 | 0.715052 | 0.284948 | safety_canonical_v27 | 1 | true | 0.106383 | -1 | -1 | -1 | indirect_record | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | GVJHHUAWPYXKBD-IEOSBIPESA-N | DNIAPMSPPWPWGF-UHFFFAOYSA-N | c1ccc2c(c1)CCCO2 | parent:DNIAPMSPPWPWGF-UHFFFAOYSA-N | {
"aggregation_method": "individual_record",
"display_measurement_text": "6.51",
"display_unit_text": "µL/min/100 g body weight",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 6.51,
"aggregate_max": 6.51,
"aggregate_q1... | {
"aggregation_method": "individual_record",
"display_measurement_text": "4.79",
"display_unit_text": "µL/min/100 g body weight",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 4.79,
"aggregate_max": 4.79,
"aggregate_q1... | 17 | 17 | 14 | id | train_exact_bucket.v27_safety | identity | {"assay_format":"in_vivo_animal","biological_system_context":"Rattus norvegicus rats, chronic Al-intoxication model with Vit E coadministration, in vivo basal bile collection, n=6.","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.88,"effect_direction":"increase","endp... | {"assay_format":"in_vivo_animal","biological_system_context":"Rat (Rattus norvegicus) in vivo, treatment given over several days; intact in vivo system treated as metabolically competent.","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect_direction":"no_change... | L4 | gold_v1 | sr_d19213833dea4a8880e9dfe814d229ea | sr_b051effdb7c548f7ac1a6aa1a01994a4 | ["dili_v3","biliary_secretion_or_bile_flow","µL/min/100 g body weight","__unknown__","bile flow"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2</SMILES>
- Assay format: in_vivo_animal
- Biological system context: Rattus norvegicus (rat), intact in vivo system (meta... | (A) | train | 60f495aceb487eb970bb901080a044a34cfb40a4521534fb2eeb5377c44bd7e1 | -1 | null | -1 | null | null | null | dili | dili_v3 | limited_balanced_parent_morgan_first.v28_safety | dili:daef7ee17eae0383aec6c740eb0c3ca773f85a7d3cd050a9db2bd665421fa71d | dili:92e4e559cb6021ffa17757dbd3d0e5a6057fed83c2a26fdc5930ba6ef0a55876 | dili:daef7ee17eae0383aec6c740eb0c3ca773f85a7d3cd050a9db2bd665421fa71d | dili:92e4e559cb6021ffa17757dbd3d0e5a6057fed83c2a26fdc5930ba6ef0a55876 | OCZNOKJDQKWBTM-UHFFFAOYSA-N | IAKHMKGGTNLKSZ-INIZCTEOSA-N | CC(C)(C)C(C)(C)Cc1ccc(OCCO)c(Cc2cc(CC(C)(C)C(C)(C)C)cc(Cc3cc(CC(C)(C)C(C)(C)C)ccc3OCCO)c2OCCO)c1 | COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2 | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_format=in_vivo_animal",
"biological_system_context=In vivo rat (Rattus norvegicus) liver; six animals per group; intact in vivo system (intrinsically metabolically competent).",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=basal bile flow rate",
... | [
"assay_format=in_vivo_animal",
"biological_system_context=Rattus norvegicus (rat), intact in vivo system (metabolically competent), colchicine-treated for 8 hr; bile collected and measured.",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile flow rate",... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 7.8 | 7.4 | 0.4 | 5.5845 | {
"nontransfer": 0.03613352183470764,
"transfer": 0.9638664781652924
} | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | L4 | continuous | {
"calibration_sha256": "13f33377c33a07d1b94973183adf82613c4b9458c606175e723190967780e412",
"groups": {
"assay_concept": "L4",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v3\",\"biliary_secretion_or_bile_flow\",\"\\u00b5L/min/100 g body weight\",\"__unknown__\",\"bile flow\",\"L4... | 0.4 | 0.071627 | 0.963866 | 5.5845 | 0.963866 | 0.036134 | safety_canonical_v27 | 1 | true | 0.12987 | -1 | -1 | -1 | indirect_record | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | OCZNOKJDQKWBTM-UHFFFAOYSA-N | IAKHMKGGTNLKSZ-INIZCTEOSA-N | c1ccc(Cc2cccc(Cc3ccccc3)c2)cc1 | O=c1cccc2c(c1)CCCc1ccccc1-2 | {
"aggregation_method": "individual_record",
"display_measurement_text": "7.8",
"display_unit_text": "µL/min/100 g body weight",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 7.8,
"aggregate_max": 7.8,
"aggregate_q1": ... | {
"aggregation_method": "individual_record",
"display_measurement_text": "7.4",
"display_unit_text": "µL/min/100 g body weight",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 7.4,
"aggregate_max": 7.4,
"aggregate_q1": ... | 17 | 17 | 14 | id | train_exact_bucket.v27_safety | identity | {"assay_format":"in_vivo_animal","biological_system_context":"In vivo rat (Rattus norvegicus) liver; six animals per group; intact in vivo system (intrinsically metabolically competent).","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.8,"effect_direction":"increase",... | {"assay_format":"in_vivo_animal","biological_system_context":"Rattus norvegicus (rat), intact in vivo system (metabolically competent), colchicine-treated for 8 hr; bile collected and measured.","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect_direction":"dec... | L4 | gold_v1 | sr_153eb54cece64d7bbc5ec955a7f8f309 | sr_91bbdf701b3d4cbfa8023dcfc56fb2e7 | ["dili_v3","biliary_secretion_or_bile_flow","µL/min/100 g body weight","__unknown__","bile flow"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C</SMILES>
- Assay format: in_vivo_animal
- Biological system context: Rats, in viv... | (A) | train | 0b3d19ffc7010db06b6d211d3273beb901db1cc7e030b2a133aa67ba9e0f0bbd | -1 | null | -1 | null | null | null | dili | dili_v3 | limited_balanced_parent_morgan_first.v28_safety | dili:cdc7b538cd367a59ebd7842a083e6e368139d1174b1556a671e84f3136199f86 | dili:23fce8cdc1a3034e8a61beb7be05f27ce53664c8a613c384a1f4826b287a3b1e | dili:cdc7b538cd367a59ebd7842a083e6e368139d1174b1556a671e84f3136199f86 | dili:23fce8cdc1a3034e8a61beb7be05f27ce53664c8a613c384a1f4826b287a3b1e | BHTRKEVKTKCXOH-LBSADWJPSA-N | GHCZAUBVMUEKKP-XROMFQGDSA-N | C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_format=in_vivo_animal",
"biological_system_context=In vivo rat biliary excretion study; species Rattus norvegicus; intact metabolic competence",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile flow rate during Tm period",
"endpoint_name=bilia... | [
"assay_format=in_vivo_animal",
"biological_system_context=Rats, in vivo bile-collection experiment",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile flow rate at Tm",
"endpoint_name=biliary_secretion_or_bile_flow",
"exposure_conditions=Glycoursode... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 15.9 | 15.45 | 0.45 | 5.5845 | {
"nontransfer": 0.03938463836655581,
"transfer": 0.9606153616334442
} | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | L4 | continuous | {
"calibration_sha256": "13f33377c33a07d1b94973183adf82613c4b9458c606175e723190967780e412",
"groups": {
"assay_concept": "L4",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v3\",\"biliary_secretion_or_bile_flow\",\"\\u00b5L/min/100 g body weight\",\"__unknown__\",\"bile flow\",\"L4... | 0.45 | 0.08058 | 0.960615 | 5.5845 | 0.960615 | 0.039385 | safety_canonical_v27 | 1 | true | 0.746032 | -1 | -1 | -1 | indirect_record | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g body weight","__unknown__","bile flow","L4"] | BHTRKEVKTKCXOH-LBSADWJPSA-N | GHCZAUBVMUEKKP-XROMFQGDSA-N | C1CCC2C(C1)CCC1C3CCCC3CCC21 | C1CCC2C(C1)CCC1C3CCCC3CCC21 | {
"aggregation_method": "individual_record",
"display_measurement_text": "15.9",
"display_unit_text": "µL/min/100 g body weight",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 15.9,
"aggregate_max": 15.9,
"aggregate_q1... | {
"aggregation_method": "individual_record",
"display_measurement_text": "15.45",
"display_unit_text": "µL/min/100 g body weight",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 15.45,
"aggregate_max": 15.45,
"aggregate... | 17 | 17 | 14 | id | train_exact_bucket.v27_safety | identity | {"assay_format":"in_vivo_animal","biological_system_context":"In vivo rat biliary excretion study; species Rattus norvegicus; intact metabolic competence","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect_direction":"present","endpoint_metric":"bile flow rate ... | {"assay_format":"in_vivo_animal","biological_system_context":"Rats, in vivo bile-collection experiment","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.85,"effect_direction":"present","endpoint_metric":"bile flow rate at Tm","endpoint_name":"biliary_secretion_or_bile_... | L4 | gold_v1 | sr_9a6596cb8a914ad4871d994a3d52c1f9 | sr_e6b4d77b904f460995dbf02ba8653c2b | ["dili_v3","biliary_secretion_or_bile_flow","µL/min/100 g body weight","__unknown__","bile flow"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CCSCC[C@H](N)C(=O)O</SMILES>
- Assay format: in_vivo_animal
- Biological system context: Male rats (Rattus norvegicus), in vivo, timed bile collection; six animals per group
- C... | (A) | train | 3714b705ec1abc9fa1681317e6222a8eccde08688628629e0a2d6d833bc85f97 | -1 | null | -1 | null | null | null | dili | dili_v3 | limited_balanced_parent_morgan_first.v28_safety | dili:bbe7c9cb57f743e44885a7c45a1fff29fdd54a0470486dac89653fb7d6254e84 | dili:40647c681f6bc3cab99cb8a92b684c56c05243b67622d3ed853b6b394ef58693 | dili:bbe7c9cb57f743e44885a7c45a1fff29fdd54a0470486dac89653fb7d6254e84 | dili:40647c681f6bc3cab99cb8a92b684c56c05243b67622d3ed853b6b394ef58693 | UEEJHVSXFDXPFK-UHFFFAOYSA-N | GGLZPLKKBSSKCX-YFKPBYRVSA-N | CN(C)CCO | CCSCC[C@H](N)C(=O)O | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_format=in_vivo_animal",
"biological_system_context=Adult male Wistar rats with an external bile fistula and jugular catheter, in vivo; baseline saline infusion to wash out endogenous bile salt pool.",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=... | [
"assay_format=in_vivo_animal",
"biological_system_context=Male rats (Rattus norvegicus), in vivo, timed bile collection; six animals per group",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile flow rate",
"endpoint_name=biliary_secretion_or_bile_flo... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 2.3 | 4.11 | 1.81 | 9.325017 | {
"nontransfer": 0.11314766464366122,
"transfer": 0.8868523353563388
} | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | L4 | continuous | {
"calibration_sha256": "13f33377c33a07d1b94973183adf82613c4b9458c606175e723190967780e412",
"groups": {
"assay_concept": "L4",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v3\",\"biliary_secretion_or_bile_flow\",\"\\u00b5L/min/100 g\",\"__unknown__\",\"bile flow\",\"L4\"]",
"q... | 1.81 | 0.194102 | 0.886852 | 9.325017 | 0.886852 | 0.113148 | safety_canonical_v27 | 1 | true | 0.09375 | -1 | -1 | -1 | indirect_record | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | UEEJHVSXFDXPFK-UHFFFAOYSA-N | GGLZPLKKBSSKCX-YFKPBYRVSA-N | parent:UEEJHVSXFDXPFK-UHFFFAOYSA-N | parent:GGLZPLKKBSSKCX-YFKPBYRVSA-N | {
"aggregation_method": "individual_record",
"display_measurement_text": "2.3",
"display_unit_text": "µL/min/100 g",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2.3,
"aggregate_max": 2.3,
"aggregate_q1": 2.3,
"aggr... | {
"aggregation_method": "individual_record",
"display_measurement_text": "4.11",
"display_unit_text": "µL/min/100 g",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 4.11,
"aggregate_max": 4.11,
"aggregate_q1": 4.11,
"... | 21 | 15 | 10 | id | train_exact_bucket.v27_safety | identity | {"assay_format":"in_vivo_animal","biological_system_context":"Adult male Wistar rats with an external bile fistula and jugular catheter, in vivo; baseline saline infusion to wash out endogenous bile salt pool.","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect... | {"assay_format":"in_vivo_animal","biological_system_context":"Male rats (Rattus norvegicus), in vivo, timed bile collection; six animals per group","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.85,"effect_direction":"increase","endpoint_metric":"bile flow rate","end... | L4 | gold_v1 | sr_e23e2eaa4b19487281e3ca47eec1d24c | sr_3e35e9025cd54d798701ec3ad7e71a9a | ["dili_v3","biliary_secretion_or_bile_flow","µL/min/100 g","__unknown__","bile flow"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CCSCC[C@H](N)C(=O)O</SMILES>
- Assay format: in_vivo_animal
- Biological system context: Male rats (Rattus norvegicus), in vivo, timed bile collection; six animals per group
- C... | (B) | train | c4e6f7c677f37e383a4c825846c3287345d2813b5b7dc176dc18e17e48510737 | -1 | null | -1 | null | null | null | dili | dili_v3 | limited_balanced_parent_morgan_first.v28_safety | dili:79711e38deb67325affb51896f2dc6386c59f0b9d653e2b0daa75e2c463fcbf4 | dili:40647c681f6bc3cab99cb8a92b684c56c05243b67622d3ed853b6b394ef58693 | dili:79711e38deb67325affb51896f2dc6386c59f0b9d653e2b0daa75e2c463fcbf4 | dili:40647c681f6bc3cab99cb8a92b684c56c05243b67622d3ed853b6b394ef58693 | UCMIRNVEIXFBKS-UHFFFAOYSA-N | GGLZPLKKBSSKCX-YFKPBYRVSA-N | NCCC(=O)O | CCSCC[C@H](N)C(=O)O | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_format=in_vivo_animal",
"biological_system_context=Rat (Rattus norvegicus), in vivo, bile-collection model; β-alanine-pretreated (taurine depletion) rats coinfused TCDC+UDC (group F); intact metabolic competence.",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"en... | [
"assay_format=in_vivo_animal",
"biological_system_context=Male rats (Rattus norvegicus), in vivo, timed bile collection; six animals per group",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile flow rate",
"endpoint_name=biliary_secretion_or_bile_flo... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | far | 18.27 | 4.11 | 14.16 | 9.325017 | {
"nontransfer": 0.9999861187686012,
"transfer": 0.000013881231398774216
} | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | L4 | continuous | {
"calibration_sha256": "13f33377c33a07d1b94973183adf82613c4b9458c606175e723190967780e412",
"groups": {
"assay_concept": "L4",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v3\",\"biliary_secretion_or_bile_flow\",\"\\u00b5L/min/100 g\",\"__unknown__\",\"bile flow\",\"L4\"]",
"q... | 14.16 | 1.518496 | 0.000014 | 9.325017 | 0.000014 | 0.999986 | safety_canonical_v27 | 0 | true | 0.2 | -1 | -1 | -1 | indirect_record | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | UCMIRNVEIXFBKS-UHFFFAOYSA-N | GGLZPLKKBSSKCX-YFKPBYRVSA-N | parent:UCMIRNVEIXFBKS-UHFFFAOYSA-N | parent:GGLZPLKKBSSKCX-YFKPBYRVSA-N | {
"aggregation_method": "individual_record",
"display_measurement_text": "18.27",
"display_unit_text": "µL/min/100 g",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 18.27,
"aggregate_max": 18.27,
"aggregate_q1": 18.27,... | {
"aggregation_method": "individual_record",
"display_measurement_text": "4.11",
"display_unit_text": "µL/min/100 g",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 4.11,
"aggregate_max": 4.11,
"aggregate_q1": 4.11,
"... | 21 | 15 | 10 | id | train_exact_bucket.v27_safety | identity | {"assay_format":"in_vivo_animal","biological_system_context":"Rat (Rattus norvegicus), in vivo, bile-collection model; \u03b2-alanine-pretreated (taurine depletion) rats coinfused TCDC+UDC (group F); intact metabolic competence.","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","conf... | {"assay_format":"in_vivo_animal","biological_system_context":"Male rats (Rattus norvegicus), in vivo, timed bile collection; six animals per group","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.85,"effect_direction":"increase","endpoint_metric":"bile flow rate","end... | L4 | gold_v1 | sr_c369c3f6667e4396b11581e21f34079e | sr_3e35e9025cd54d798701ec3ad7e71a9a | ["dili_v3","biliary_secretion_or_bile_flow","µL/min/100 g","__unknown__","bile flow"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C</SMILES>
- Assay format: in_vivo_animal
- Biological system context: In vivo male... | (B) | train | d41ca399ffeebfa554ba3a52c631944acef5b09d22d1ad8c184863bfb4f1c8fa | -1 | null | -1 | null | null | null | dili | dili_v3 | limited_balanced_parent_morgan_first.v28_safety | dili:32e00f1154dbb58ce37df0104fe3b80ee3378363957e182b93c27559330908f4 | dili:585216628833c092b974ed7686b0d83aa37d683d966c2bc8891183857cdba3f3 | dili:32e00f1154dbb58ce37df0104fe3b80ee3378363957e182b93c27559330908f4 | dili:585216628833c092b974ed7686b0d83aa37d683d966c2bc8891183857cdba3f3 | DKPMWHFRUGMUKF-CRKPLTDNSA-N | DKPMWHFRUGMUKF-GDYCBZMLSA-N | C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_format=in_vivo_animal",
"biological_system_context=In vivo bile-collection study; Sprague-Dawley rats (n=3-4 experiments). Intact animal, intrinsically metabolically competent per protocol.",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile flow... | [
"assay_format=in_vivo_animal",
"biological_system_context=In vivo male Wistar rats (each n=3), metabolically competent, infusion study measuring bile flow, bile salt excretion rate and bicarbonate concentration",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_me... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | far | 13 | 18.76 | 5.76 | 9.325017 | {
"nontransfer": 0.8981588297381823,
"transfer": 0.10184117026181769
} | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | L4 | continuous | {
"calibration_sha256": "13f33377c33a07d1b94973183adf82613c4b9458c606175e723190967780e412",
"groups": {
"assay_concept": "L4",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v3\",\"biliary_secretion_or_bile_flow\",\"\\u00b5L/min/100 g\",\"__unknown__\",\"bile flow\",\"L4\"]",
"q... | 5.76 | 0.617693 | 0.101841 | 9.325017 | 0.101841 | 0.898159 | safety_canonical_v27 | 0 | true | 1 | -1 | -1 | -1 | indirect_record | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | DKPMWHFRUGMUKF-CRKPLTDNSA-N | DKPMWHFRUGMUKF-GDYCBZMLSA-N | C1CCC2C(C1)CCC1C3CCCC3CCC21 | C1CCC2C(C1)CCC1C3CCCC3CCC21 | {
"aggregation_method": "individual_record",
"display_measurement_text": "13",
"display_unit_text": "µL/min/100 g",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 13,
"aggregate_max": 13,
"aggregate_q1": 13,
"aggregat... | {
"aggregation_method": "individual_record",
"display_measurement_text": "18.76",
"display_unit_text": "µL/min/100 g",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 18.76,
"aggregate_max": 18.76,
"aggregate_q1": 18.76,... | 21 | 15 | 10 | id | train_exact_bucket.v27_safety | identity | {"assay_format":"in_vivo_animal","biological_system_context":"In vivo bile-collection study; Sprague-Dawley rats (n=3-4 experiments). Intact animal, intrinsically metabolically competent per protocol.","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect_directio... | {"assay_format":"in_vivo_animal","biological_system_context":"In vivo male Wistar rats (each n=3), metabolically competent, infusion study measuring bile flow, bile salt excretion rate and bicarbonate concentration","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.85,"... | L4 | gold_v1 | sr_94f588ab3baa4327a97d1d188f52e534 | sr_2e7e6b62948e4bee8840080aec5c1f56 | ["dili_v3","biliary_secretion_or_bile_flow","µL/min/100 g","__unknown__","bile flow"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12</SMILES>
- Assay format: in_vivo_animal
- Biological system context: Sprague-Dawley rats, in vivo bile collection
- Canonical assay c... | (B) | train | 4724bdd5d95e93355cd2491327f5c15da0652d7bacfbef9290dc61f0d0c80aea | -1 | null | -1 | null | null | null | dili | dili_v3 | limited_balanced_parent_morgan_first.v28_safety | dili:8130a61e464897b7b951670ffdf271fd0de7852501950e364cec1d6ba39c6910 | dili:a1d3ebcf5f469c0a632cab858b2c72c97e6273d2e9f60c1096da3d9ff4984acb | dili:8130a61e464897b7b951670ffdf271fd0de7852501950e364cec1d6ba39c6910 | dili:a1d3ebcf5f469c0a632cab858b2c72c97e6273d2e9f60c1096da3d9ff4984acb | KPSRODZRAIWAKH-UHFFFAOYSA-N | AZKVWQKMDGGDSV-BCMRRPTOSA-N | CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O | COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12 | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_format=in_vivo_animal",
"biological_system_context=Male wild-type mice (Mus musculus); in vivo bile collection; metabolic competence: intact in vivo system; units per 100 g body weight",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile flow rate... | [
"assay_format=in_vivo_animal",
"biological_system_context=Sprague-Dawley rats, in vivo bile collection",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile flow rate",
"endpoint_name=biliary_secretion_or_bile_flow",
"exposure_conditions=genipin orall... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | far | 30.3 | 7.02 | 23.28 | 9.325017 | {
"nontransfer": 0.9999999992148153,
"transfer": 7.851847318082662e-10
} | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | L4 | continuous | {
"calibration_sha256": "13f33377c33a07d1b94973183adf82613c4b9458c606175e723190967780e412",
"groups": {
"assay_concept": "L4",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v3\",\"biliary_secretion_or_bile_flow\",\"\\u00b5L/min/100 g\",\"__unknown__\",\"bile flow\",\"L4\"]",
"q... | 23.28 | 2.49651 | 0 | 9.325017 | 0 | 1 | safety_canonical_v27 | 0 | true | 0.145161 | -1 | -1 | -1 | indirect_record | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | KPSRODZRAIWAKH-UHFFFAOYSA-N | AZKVWQKMDGGDSV-BCMRRPTOSA-N | c1ccc(C2CC2)cc1 | C1=CC2COC=CC2C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "30.3",
"display_unit_text": "µL/min/100 g",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 30.3,
"aggregate_max": 30.3,
"aggregate_q1": 30.3,
"... | {
"aggregation_method": "individual_record",
"display_measurement_text": "7.02",
"display_unit_text": "µL/min/100 g",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 7.02,
"aggregate_max": 7.02,
"aggregate_q1": 7.02,
"... | 21 | 15 | 10 | id | train_exact_bucket.v27_safety | identity | {"assay_format":"in_vivo_animal","biological_system_context":"Male wild-type mice (Mus musculus); in vivo bile collection; metabolic competence: intact in vivo system; units per 100 g body weight","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect_direction":"i... | {"assay_format":"in_vivo_animal","biological_system_context":"Sprague-Dawley rats, in vivo bile collection","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect_direction":"increase","endpoint_metric":"bile flow rate","endpoint_name":"biliary_secretion_or_bile_fl... | L4 | gold_v1 | sr_19655acb45a14205aca1078fbaec5115 | sr_0c9d68f22b534e68a2076c18bcb48111 | ["dili_v3","biliary_secretion_or_bile_flow","µL/min/100 g","__unknown__","bile flow"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12</SMILES>
- Assay format: in_vivo_animal
- Biological system context: Sprague-Dawley rats, in vivo bile collection
- Canonical assay c... | (B) | train | 3b23ade690efcaa36341e8a2d03363a19d3bf993485969f6e8d3c5040fa0637d | -1 | null | -1 | null | null | null | dili | dili_v3 | limited_balanced_parent_morgan_first.v28_safety | dili:cb323b9f1c7dd04805b87ba450736683b22e79809056020d5364181aa974bac0 | dili:a1d3ebcf5f469c0a632cab858b2c72c97e6273d2e9f60c1096da3d9ff4984acb | dili:cb323b9f1c7dd04805b87ba450736683b22e79809056020d5364181aa974bac0 | dili:a1d3ebcf5f469c0a632cab858b2c72c97e6273d2e9f60c1096da3d9ff4984acb | KPSRODZRAIWAKH-UHFFFAOYSA-N | AZKVWQKMDGGDSV-BCMRRPTOSA-N | CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O | COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12 | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_format=in_vivo_animal",
"biological_system_context=Wild-type and Pparα(-/-) SV129 mice, in vivo bile collection (n=7-10 per group); intrinsically metabolically competent in vivo system.",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile flow rat... | [
"assay_format=in_vivo_animal",
"biological_system_context=Sprague-Dawley rats, in vivo bile collection",
"canonical_assay_context=bile flow",
"canonical_measurement_scale_id=__unknown__",
"endpoint_metric=bile flow rate",
"endpoint_name=biliary_secretion_or_bile_flow",
"exposure_conditions=genipin orall... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | far | 30.3 | 7.02 | 23.28 | 9.325017 | {
"nontransfer": 0.9999999992148153,
"transfer": 7.851847318082662e-10
} | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | L4 | continuous | {
"calibration_sha256": "13f33377c33a07d1b94973183adf82613c4b9458c606175e723190967780e412",
"groups": {
"assay_concept": "L4",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v3\",\"biliary_secretion_or_bile_flow\",\"\\u00b5L/min/100 g\",\"__unknown__\",\"bile flow\",\"L4\"]",
"q... | 23.28 | 2.49651 | 0 | 9.325017 | 0 | 1 | safety_canonical_v27 | 0 | true | 0.145161 | -1 | -1 | -1 | indirect_record | ["dili_v3","biliary_secretion_or_bile_flow","\u00b5L/min/100 g","__unknown__","bile flow","L4"] | KPSRODZRAIWAKH-UHFFFAOYSA-N | AZKVWQKMDGGDSV-BCMRRPTOSA-N | c1ccc(C2CC2)cc1 | C1=CC2COC=CC2C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "30.3",
"display_unit_text": "µL/min/100 g",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 30.3,
"aggregate_max": 30.3,
"aggregate_q1": 30.3,
"... | {
"aggregation_method": "individual_record",
"display_measurement_text": "7.02",
"display_unit_text": "µL/min/100 g",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 7.02,
"aggregate_max": 7.02,
"aggregate_q1": 7.02,
"... | 21 | 15 | 10 | id | train_exact_bucket.v27_safety | identity | {"assay_format":"in_vivo_animal","biological_system_context":"Wild-type and Ppar\u03b1(-/-) SV129 mice, in vivo bile collection (n=7-10 per group); intrinsically metabolically competent in vivo system.","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect_directi... | {"assay_format":"in_vivo_animal","biological_system_context":"Sprague-Dawley rats, in vivo bile collection","canonical_assay_context":"bile flow","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect_direction":"increase","endpoint_metric":"bile flow rate","endpoint_name":"biliary_secretion_or_bile_fl... | L4 | gold_v1 | sr_38ddc4a129ed4f1d9623f10dbfa65e9f | sr_0c9d68f22b534e68a2076c18bcb48111 | ["dili_v3","biliary_secretion_or_bile_flow","µL/min/100 g","__unknown__","bile flow"] |
End of preview. Expand in Data Studio
DILI record-level V27 L4
This level-specific release uses current V10 physical evidence, the active Gold-owned level mapping, and Gold-v1 parent-disjoint evaluation. Undefined variance ratios are allowed; defined ratios above 0.65 are excluded. Prompts display canonical Stage-3 measurement and unit pairs.
Rows: {'train': 356, 'validation_ranking': 205, 'test_ranking': 901}
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