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>CCc1ccccc1</SMILES>
- Assay method and endpoint: GSH trapping of electrophilic reactive EB metabolites, measured as ethylphenol-GSH conjugate formation in microsomal incubations... | (A) | train | e69ae265f37836ea316f92cd45d6a2c0130d7f917db96387586b0f6576b7000b | -1 | null | -1 | null | null | null | ames | mutagenicity_mechanism | limited_balanced_parent_morgan_first.v28_safety | ames:d43b7ba4c9e2f1b7f0aa42206cc42d069578c0b1e20f0b51d87fe087eec3e145 | ames:f4915789a29d7be43c7ef587dcac6dcad4e0f7817aafc92c1553ad35bb5a5b96 | ames:d43b7ba4c9e2f1b7f0aa42206cc42d069578c0b1e20f0b51d87fe087eec3e145 | ames:f4915789a29d7be43c7ef587dcac6dcad4e0f7817aafc92c1553ad35bb5a5b96 | XXPANQJNYNUNES-UHFFFAOYSA-N | YNQLUTRBYVCPMQ-UHFFFAOYSA-N | CN1Cc2c(N)cccc2C(c2ccccc2)C1 | CCc1ccccc1 | ["mutagenicity_mechanism","reactive_metabolite_trapping","binary_outcome_class","ames_mechanism_detection.v1","reactive metabolite GSH trapping","L5"] | ["mutagenicity_mechanism","reactive_metabolite_trapping","binary_outcome_class","ames_mechanism_detection.v1","reactive metabolite GSH trapping","L5"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_method_and_endpoint=GSH-sulfinamide adduct formation (nomifensine GSH-sulfinamides) via GSH trapping of the reactive oxidation product of H6",
"biological_system=cDNA-expressed human CYP2B6",
"canonical_assay_context=reactive metabolite GSH trapping",
"canonical_measurement_scale_id=ames_mechanism_dete... | [
"assay_method_and_endpoint=GSH trapping of electrophilic reactive EB metabolites, measured as ethylphenol-GSH conjugate formation in microsomal incubations",
"biological_system=Mouse, rat and human liver and lung microsomes",
"canonical_assay_context=reactive metabolite GSH trapping",
"canonical_measurement_s... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | 1 | 1 | near | 1 | 1 | 0 | null | {
"nontransfer": 0.02155906172791977,
"transfer": 0.9784409382720802
} | ["mutagenicity_mechanism","reactive_metabolite_trapping","binary_outcome_class","ames_mechanism_detection.v1","reactive metabolite GSH trapping","L5"] | L5 | binary | {
"calibration_sha256": "1aa9f7be63872abe2d4ede96747a341a55aade42fb93e95c6579c6fc2609e8fb",
"groups": {
"assay_concept": "L5",
"measurement_kind": "binary",
"query_condition_group": "[\"mutagenicity_mechanism\",\"reactive_metabolite_trapping\",\"binary_outcome_class\",\"ames_mechanism_detection.v1\",\"r... | 0 | null | 0.978441 | null | 0.978441 | 0.021559 | safety_canonical_v27 | 1 | true | 0.175 | -1 | -1 | -1 | indirect_record | ["mutagenicity_mechanism","reactive_metabolite_trapping","binary_outcome_class","ames_mechanism_detection.v1","reactive metabolite GSH trapping","L5"] | XXPANQJNYNUNES-UHFFFAOYSA-N | YNQLUTRBYVCPMQ-UHFFFAOYSA-N | c1ccc(C2CNCc3ccccc32)cc1 | c1ccccc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1",
"display_unit_text": "binary_outcome_class",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1,
"aggregate_max": 1,
"aggregate_q1": 1,
"aggr... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1",
"display_unit_text": "binary_outcome_class",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1,
"aggregate_max": 1,
"aggregate_q1": 1,
"aggr... | 472 | 469 | 290 | id | train_exact_bucket.v27_safety | identity | {"assay_method_and_endpoint":"GSH-sulfinamide adduct formation (nomifensine GSH-sulfinamides) via GSH trapping of the reactive oxidation product of H6","biological_system":"cDNA-expressed human CYP2B6","canonical_assay_context":"reactive metabolite GSH trapping","canonical_measurement_scale_id":"ames_mechanism_detectio... | {"assay_method_and_endpoint":"GSH trapping of electrophilic reactive EB metabolites, measured as ethylphenol-GSH conjugate formation in microsomal incubations","biological_system":"Mouse, rat and human liver and lung microsomes","canonical_assay_context":"reactive metabolite GSH trapping","canonical_measurement_scale_i... | L5 | gold_v1 | sr_a5b546b1f2444de881fbdf88ca66d4a1 | sr_d1ba77c8719d42cd8d4663a17df78cc4 | ["mutagenicity_mechanism","reactive_metabolite_trapping","binary_outcome_class","ames_mechanism_detection.v1","reactive metabolite GSH trapping"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(=O)C(CCCCC)=CC1=O</SMILES>
- Assay method and endpoint: Electron spin resonance (ESR) spin trapping with 5,5-dimethyl-1-pyrroline-N-oxide (DM... | (A) | train | 8179aa4f83d365062af8bb8054a5f3241d49c3f624ad3242b826b92c2c202887 | -1 | null | -1 | null | null | null | ames | mutagenicity_mechanism | limited_balanced_parent_morgan_first.v28_safety | ames:dcb30561841c481fedcb2a3186809e4b237ffca111fa35ef30c365f9bc9b1c90 | ames:3882b37a483d739decc7637b5a2b71b7924a376467212c79b35a7ddf93b22e46 | ames:dcb30561841c481fedcb2a3186809e4b237ffca111fa35ef30c365f9bc9b1c90 | ames:3882b37a483d739decc7637b5a2b71b7924a376467212c79b35a7ddf93b22e46 | QHMBSVQNZZTUGM-ZWKOTPCHSA-N | WDXXEUARVHTWQF-DLBZAZTESA-N | C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O | C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(=O)C(CCCCC)=CC1=O | ["mutagenicity_mechanism","ros_or_redox_assay","binary_outcome_class","ames_mechanism_detection.v1","EPR spin-trapping detection of superoxide","L5"] | ["mutagenicity_mechanism","ros_or_redox_assay","binary_outcome_class","ames_mechanism_detection.v1","EPR spin-trapping detection of superoxide","L5"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_method_and_endpoint=Electron spin resonance (ESR) spin trapping with 5,5-dimethyl-1-pyrroline-N-oxide (DMPO) detection of superoxide anion radicals during microsomal metabolism",
"biological_system=Mouse hepatic microsomes (in vitro, Mus musculus)",
"canonical_assay_context=EPR spin-trapping detection of... | [
"assay_method_and_endpoint=Electron spin resonance (ESR) spin trapping with 5,5-dimethyl-1-pyrroline-N-oxide (DMPO) detection of superoxide anion radicals during microsomal metabolism",
"biological_system=Mouse hepatic microsomes (in vitro, Mus musculus)",
"canonical_assay_context=EPR spin-trapping detection of... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | 1 | 1 | near | 1 | 1 | 0 | null | {
"nontransfer": 0.02155906172791977,
"transfer": 0.9784409382720802
} | ["mutagenicity_mechanism","ros_or_redox_assay","binary_outcome_class","ames_mechanism_detection.v1","EPR spin-trapping detection of superoxide","L5"] | L5 | binary | {
"calibration_sha256": "1aa9f7be63872abe2d4ede96747a341a55aade42fb93e95c6579c6fc2609e8fb",
"groups": {
"assay_concept": "L5",
"measurement_kind": "binary",
"query_condition_group": "[\"mutagenicity_mechanism\",\"ros_or_redox_assay\",\"binary_outcome_class\",\"ames_mechanism_detection.v1\",\"EPR spin-tr... | 0 | null | 0.978441 | null | 0.978441 | 0.021559 | safety_canonical_v27 | 1 | true | 0.54386 | -1 | -1 | -1 | indirect_record | ["mutagenicity_mechanism","ros_or_redox_assay","binary_outcome_class","ames_mechanism_detection.v1","EPR spin-trapping detection of superoxide","L5"] | QHMBSVQNZZTUGM-ZWKOTPCHSA-N | WDXXEUARVHTWQF-DLBZAZTESA-N | C1=CC(c2ccccc2)CCC1 | O=C1C=CC(=O)C(C2C=CCCC2)=C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1",
"display_unit_text": "binary_outcome_class",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1,
"aggregate_max": 1,
"aggregate_q1": 1,
"aggr... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1",
"display_unit_text": "binary_outcome_class",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1,
"aggregate_max": 1,
"aggregate_q1": 1,
"aggr... | 65 | 65 | 39 | id | train_exact_bucket.v27_safety | identity | {"assay_method_and_endpoint":"Electron spin resonance (ESR) spin trapping with 5,5-dimethyl-1-pyrroline-N-oxide (DMPO) detection of superoxide anion radicals during microsomal metabolism","biological_system":"Mouse hepatic microsomes (in vitro, Mus musculus)","canonical_assay_context":"EPR spin-trapping detection of su... | {"assay_method_and_endpoint":"Electron spin resonance (ESR) spin trapping with 5,5-dimethyl-1-pyrroline-N-oxide (DMPO) detection of superoxide anion radicals during microsomal metabolism","biological_system":"Mouse hepatic microsomes (in vitro, Mus musculus)","canonical_assay_context":"EPR spin-trapping detection of su... | L5 | gold_v1 | sr_c147a48a3f9c49829e0f7ad2d5ae4eeb | sr_4d04409315c9405799d6d209cf7fe9f0 | ["mutagenicity_mechanism","ros_or_redox_assay","binary_outcome_class","ames_mechanism_detection.v1","EPR spin-trapping detection of superoxide"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C(=O)OC)CO[C@H]3[C@@H](O)[C@@](C)([C@]45O[C@@]4(C)[C@H]4C[C@@H]5O[C@@H]5OC=C[C@@]54O)[C@H]4[C@]1(CO[C@]4(O)C(=O)OC)[C@@H]32</SMILES>
... | (A) | train | dbeeadec8ad751352e2bd6611fe4e2c3038da4ecc851a5c218569d5d423edd07 | -1 | null | -1 | null | null | null | ames | mutagenicity_mechanism | limited_balanced_parent_morgan_first.v28_safety | ames:7800b5081238e46f43c0bc522b9d1f864c9bdf75181898e26bd1a7950c479578 | ames:b472303baec610ccf292134f4c330ee358e0741699473d7f9ebe2b61d93f3af8 | ames:7800b5081238e46f43c0bc522b9d1f864c9bdf75181898e26bd1a7950c479578 | ames:b472303baec610ccf292134f4c330ee358e0741699473d7f9ebe2b61d93f3af8 | DFBKLUNHFCTMDC-PICURKEMSA-N | FTNJWQUOZFUQQJ-NDAWSKJSSA-N | ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H]4C[C@@H]([C@H]5O[C@@H]45)[C@@H]3[C@@]1(Cl)C2(Cl)Cl | C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C(=O)OC)CO[C@H]3[C@@H](O)[C@@](C)([C@]45O[C@@]4(C)[C@H]4C[C@@H]5O[C@@H]5OC=C[C@@]54O)[C@H]4[C@]1(CO[C@]4(O)C(=O)OC)[C@@H]32 | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","lipid peroxidation (MDA)","L5"] | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","lipid peroxidation (MDA)","L5"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_method_and_endpoint=Hepatic malondialdehyde (MDA) content as a product of lipid peroxidation",
"biological_system=Male B6C3F1 mouse liver, in vivo (whole animal)",
"canonical_assay_context=lipid peroxidation (MDA)",
"canonical_measurement_scale_id=ames_mechanism_direction.v1",
"endpoint_name=oxidativ... | [
"assay_method_and_endpoint=Malondialdehyde (MDA) level measured in tissue as a marker of lipid peroxidation",
"biological_system=In vivo rainbow trout (Oncorhynchus mykiss); gill and liver tissues",
"canonical_assay_context=lipid peroxidation (MDA)",
"canonical_measurement_scale_id=ames_mechanism_direction.v1... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 2 | 2 | 0 | 0.963224 | {
"nontransfer": 0.01798620996209155,
"transfer": 0.9820137900379085
} | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","lipid peroxidation (MDA)","L5"] | L5 | ordinal | {
"calibration_sha256": "1aa9f7be63872abe2d4ede96747a341a55aade42fb93e95c6579c6fc2609e8fb",
"groups": {
"assay_concept": "L5",
"measurement_kind": "ordinal",
"query_condition_group": "[\"mutagenicity_mechanism\",\"oxidative_damage_assay\",\"signed_effect_direction\",\"ames_mechanism_direction.v1\",\"lip... | 0 | 0 | 0.982014 | 0.963224 | 0.982014 | 0.017986 | safety_canonical_v27 | 1 | true | 0.107527 | -1 | -1 | -1 | indirect_record | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","lipid peroxidation (MDA)","L5"] | DFBKLUNHFCTMDC-PICURKEMSA-N | FTNJWQUOZFUQQJ-NDAWSKJSSA-N | C1=CC2CC1C1C3CC(C4OC34)C21 | C1=CC2C(O1)OC1CC2C2OC12C1CC2OCC3CCCC4(COCC14)C32 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2,
"aggregate_max": 2,
"aggregate_q1": 2,
"a... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2,
"aggregate_max": 2,
"aggregate_q1": 2,
"a... | 1,657 | 1,581 | 601 | id | train_exact_bucket.v27_safety | identity | {"assay_method_and_endpoint":"Hepatic malondialdehyde (MDA) content as a product of lipid peroxidation","biological_system":"Male B6C3F1 mouse liver, in vivo (whole animal)","canonical_assay_context":"lipid peroxidation (MDA)","canonical_measurement_scale_id":"ames_mechanism_direction.v1","confidence":0.85,"cytotoxicit... | {"assay_method_and_endpoint":"Malondialdehyde (MDA) level measured in tissue as a marker of lipid peroxidation","biological_system":"In vivo rainbow trout (Oncorhynchus mykiss); gill and liver tissues","canonical_assay_context":"lipid peroxidation (MDA)","canonical_measurement_scale_id":"ames_mechanism_direction.v1","c... | L5 | gold_v1 | sr_73787dd5b7a848959e2dcfe78a78ab7c | sr_f313542c012545a9a0b6401b9849d509 | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","lipid peroxidation (MDA)"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>N=C(N)NCCC[C@H](N)C(=O)O</SMILES>
- Assay method and endpoint: MDA (malondialdehyde) lipid peroxidation product in cell lysates
- Biological system: Primary chicken hepatocytes ... | (A) | train | 72f0317b2ac9ca9c5c2ade8eb04a024a0300654dbdbe4b304316ac1702874f76 | -1 | null | -1 | null | null | null | ames | mutagenicity_mechanism | limited_balanced_parent_morgan_first.v28_safety | ames:169d82ba86d698667b8fb4ebefe8bf230a07a924f38d5c5b47a917b64448efd8 | ames:5587d211106aef6df783f7c9574fd446cda4c99e13db0c48d5b0da136c41496c | ames:169d82ba86d698667b8fb4ebefe8bf230a07a924f38d5c5b47a917b64448efd8 | ames:5587d211106aef6df783f7c9574fd446cda4c99e13db0c48d5b0da136c41496c | UMGDCJDMYOKAJW-UHFFFAOYSA-N | ODKSFYDXXFIFQN-BYPYZUCNSA-N | NC(N)=S | N=C(N)NCCC[C@H](N)C(=O)O | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","lipid peroxidation (MDA)","L5"] | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","lipid peroxidation (MDA)","L5"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_method_and_endpoint=Inhibition of malondialdehyde (lipid peroxidation) formation in intact rat hepatocytes by the hydroxyl-radical scavenger thiourea",
"biological_system=Intact rat hepatocytes isolated from rat liver, incubated in Krebs-Ringer bicarbonate buffer pH 7.2 with 20 mM Hepes and 5 mM glucose",
... | [
"assay_method_and_endpoint=MDA (malondialdehyde) lipid peroxidation product in cell lysates",
"biological_system=Primary chicken hepatocytes (Gallus gallus)",
"canonical_assay_context=lipid peroxidation (MDA)",
"canonical_measurement_scale_id=ames_mechanism_direction.v1",
"endpoint_name=oxidative_damage_ass... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 0 | 0 | 0 | 0.963224 | {
"nontransfer": 0.01798620996209155,
"transfer": 0.9820137900379085
} | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","lipid peroxidation (MDA)","L5"] | L5 | ordinal | {
"calibration_sha256": "1aa9f7be63872abe2d4ede96747a341a55aade42fb93e95c6579c6fc2609e8fb",
"groups": {
"assay_concept": "L5",
"measurement_kind": "ordinal",
"query_condition_group": "[\"mutagenicity_mechanism\",\"oxidative_damage_assay\",\"signed_effect_direction\",\"ames_mechanism_direction.v1\",\"lip... | 0 | 0 | 0.982014 | 0.963224 | 0.982014 | 0.017986 | safety_canonical_v27 | 1 | true | 0.103448 | -1 | -1 | -1 | indirect_record | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","lipid peroxidation (MDA)","L5"] | UMGDCJDMYOKAJW-UHFFFAOYSA-N | ODKSFYDXXFIFQN-BYPYZUCNSA-N | parent:UMGDCJDMYOKAJW-UHFFFAOYSA-N | parent:ODKSFYDXXFIFQN-BYPYZUCNSA-N | {
"aggregation_method": "individual_record",
"display_measurement_text": "-1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0,
"aggregate_max": 0,
"aggregate_q1": 0,
"... | {
"aggregation_method": "individual_record",
"display_measurement_text": "-1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0,
"aggregate_max": 0,
"aggregate_q1": 0,
"... | 1,657 | 1,581 | 601 | id | train_exact_bucket.v27_safety | identity | {"assay_method_and_endpoint":"Inhibition of malondialdehyde (lipid peroxidation) formation in intact rat hepatocytes by the hydroxyl-radical scavenger thiourea","biological_system":"Intact rat hepatocytes isolated from rat liver, incubated in Krebs-Ringer bicarbonate buffer pH 7.2 with 20 mM Hepes and 5 mM glucose","ca... | {"assay_method_and_endpoint":"MDA (malondialdehyde) lipid peroxidation product in cell lysates","biological_system":"Primary chicken hepatocytes (Gallus gallus)","canonical_assay_context":"lipid peroxidation (MDA)","canonical_measurement_scale_id":"ames_mechanism_direction.v1","confidence":0.7,"cytotoxicity_status":nul... | L5 | gold_v1 | sr_825c2ab519f94232909a1d380d87dad3 | sr_dc680c3852d340af866fe83cc8c0bdb0 | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","lipid peroxidation (MDA)"] | |
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[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C</SMILES>
- Assay method and endpoint: Hepatic glutathione (GSH) level measured in liver ... | (B) | train | 46215bd5cd129800106412393a7e9b18450c17c5a22d13602bd7552a675a358c | -1 | null | -1 | null | null | null | ames | mutagenicity_mechanism | limited_balanced_parent_morgan_first.v28_safety | ames:f5e5f33d72418da0a7da94f3b45f3d23958f84c82c283a9cb8be026cd734c95e | ames:b780de73ec20c3db8347a29a69207979debeac18993b25b333f5f992b36a2731 | ames:f5e5f33d72418da0a7da94f3b45f3d23958f84c82c283a9cb8be026cd734c95e | ames:b780de73ec20c3db8347a29a69207979debeac18993b25b333f5f992b36a2731 | VHRSUDSXCMQTMA-PJHHCJLFSA-N | RUDATBOHQWOJDD-UZVSRGJWSA-N | C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)CO)[C@@]2(C)C=CC(=O)C=C12 | C[C@H](CCC(=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 | ["mutagenicity_mechanism","antioxidant_or_thiol_assay","signed_effect_direction","ames_mechanism_direction.v1","liver GSH content","L5"] | ["mutagenicity_mechanism","antioxidant_or_thiol_assay","signed_effect_direction","ames_mechanism_direction.v1","liver GSH content","L5"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_method_and_endpoint=Hepatic reduced glutathione (GSH) level as an antioxidant/thiol marker",
"biological_system=Rat liver, in vivo (Rattus norvegicus)",
"canonical_assay_context=liver GSH content",
"canonical_measurement_scale_id=ames_mechanism_direction.v1",
"endpoint_name=antioxidant_or_thiol_assay... | [
"assay_method_and_endpoint=Hepatic glutathione (GSH) level measured in liver tissue from the CCl4-induced hepatotoxicity model",
"biological_system=Mouse (Mus musculus) liver tissue in vivo, CCl4-induced hepatotoxicity model",
"canonical_assay_context=liver GSH content",
"canonical_measurement_scale_id=ames_m... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | far | 0 | 2 | 2 | 0.954465 | {
"nontransfer": 0.9999999566581398,
"transfer": 4.3341860246204764e-8
} | ["mutagenicity_mechanism","antioxidant_or_thiol_assay","signed_effect_direction","ames_mechanism_direction.v1","liver GSH content","L5"] | L5 | ordinal | {
"calibration_sha256": "1aa9f7be63872abe2d4ede96747a341a55aade42fb93e95c6579c6fc2609e8fb",
"groups": {
"assay_concept": "L5",
"measurement_kind": "ordinal",
"query_condition_group": "[\"mutagenicity_mechanism\",\"antioxidant_or_thiol_assay\",\"signed_effect_direction\",\"ames_mechanism_direction.v1\",\... | 2 | 2.095415 | 0 | 0.954465 | 0 | 1 | safety_canonical_v27 | 0 | true | 0.192771 | -1 | -1 | -1 | indirect_record | ["mutagenicity_mechanism","antioxidant_or_thiol_assay","signed_effect_direction","ames_mechanism_direction.v1","liver GSH content","L5"] | VHRSUDSXCMQTMA-PJHHCJLFSA-N | RUDATBOHQWOJDD-UZVSRGJWSA-N | O=C1C=CC2C(=C1)CCC1C3CCCC3CCC21 | C1CCC2C(C1)CCC1C3CCCC3CCC21 | {
"aggregation_method": "individual_record",
"display_measurement_text": "-1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0,
"aggregate_max": 0,
"aggregate_q1": 0,
"... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2,
"aggregate_max": 2,
"aggregate_q1": 2,
"a... | 495 | 472 | 250 | id | train_exact_bucket.v27_safety | identity | {"assay_method_and_endpoint":"Hepatic reduced glutathione (GSH) level as an antioxidant/thiol marker","biological_system":"Rat liver, in vivo (Rattus norvegicus)","canonical_assay_context":"liver GSH content","canonical_measurement_scale_id":"ames_mechanism_direction.v1","confidence":0.7,"cytotoxicity_status":null,"end... | {"assay_method_and_endpoint":"Hepatic glutathione (GSH) level measured in liver tissue from the CCl4-induced hepatotoxicity model","biological_system":"Mouse (Mus musculus) liver tissue in vivo, CCl4-induced hepatotoxicity model","canonical_assay_context":"liver GSH content","canonical_measurement_scale_id":"ames_mecha... | L5 | gold_v1 | sr_55e0ea3d552447d58610515bf953912c | sr_977a1afc576a46d1b7557ccdea60a79a | ["mutagenicity_mechanism","antioxidant_or_thiol_assay","signed_effect_direction","ames_mechanism_direction.v1","liver GSH content"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>Nc1nc2ncc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1</SMILES>
- Assay method and endpoint: intracellular ROS levels in oocytes (measurement method not specified in t... | (B) | train | e57974c9baa6614a7192fbfdcd5b4660033896ad515951fc30f36eb69847677d | -1 | null | -1 | null | null | null | ames | mutagenicity_mechanism | limited_balanced_parent_morgan_first.v28_safety | ames:a5a84ffe980892c5fc5b2e630ac83796e46f3fc3760b25a3e02cddc72bce71f4 | ames:42b9e271d1500474c9d86b783faea34ae30d5abad1b464c901f7f242aae936fc | ames:a5a84ffe980892c5fc5b2e630ac83796e46f3fc3760b25a3e02cddc72bce71f4 | ames:42b9e271d1500474c9d86b783faea34ae30d5abad1b464c901f7f242aae936fc | RJURFGZVJUQBHK-IIXSONLDSA-N | OVBPIULPVIDEAO-LBPRGKRZSA-N | Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O | Nc1nc2ncc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1 | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","cellular/intracellular ROS level","L5"] | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","cellular/intracellular ROS level","L5"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_method_and_endpoint=Reactive-oxygen-species (ROS) measurement in oocytes (elevated) after ActD incubation",
"biological_system=Mouse (Mus musculus) oocytes",
"canonical_assay_context=cellular/intracellular ROS level",
"canonical_measurement_scale_id=ames_mechanism_direction.v1",
"endpoint_name=ros_or... | [
"assay_method_and_endpoint=intracellular ROS levels in oocytes (measurement method not specified in the provided window)",
"biological_system=bovine oocytes, in vitro-aged model",
"canonical_assay_context=cellular/intracellular ROS level",
"canonical_measurement_scale_id=ames_mechanism_direction.v1",
"endpo... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | far | 2 | 0 | 2 | 0.971133 | {
"nontransfer": 0.9999999378988969,
"transfer": 6.210110319378701e-8
} | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","cellular/intracellular ROS level","L5"] | L5 | ordinal | {
"calibration_sha256": "1aa9f7be63872abe2d4ede96747a341a55aade42fb93e95c6579c6fc2609e8fb",
"groups": {
"assay_concept": "L5",
"measurement_kind": "ordinal",
"query_condition_group": "[\"mutagenicity_mechanism\",\"ros_or_redox_assay\",\"signed_effect_direction\",\"ames_mechanism_direction.v1\",\"cellula... | 2 | 2.05945 | 0 | 0.971133 | 0 | 1 | safety_canonical_v27 | 0 | true | 0.129771 | -1 | -1 | -1 | indirect_record | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","cellular/intracellular ROS level","L5"] | RJURFGZVJUQBHK-IIXSONLDSA-N | OVBPIULPVIDEAO-LBPRGKRZSA-N | O=C1CNC(=O)C2CCCN2C(=O)CNC(=O)C(NC(=O)c2cc(=O)cc3oc4cccc(C(=O)NC5COC(=O)CNC(=O)CNC(=O)C6CCCN6C(=O)CNC5=O)c4nc2-3)COC(=O)CN1 | O=c1[nH]cnc2ncc(CNc3ccccc3)nc12 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2,
"aggregate_max": 2,
"aggregate_q1": 2,
"a... | {
"aggregation_method": "individual_record",
"display_measurement_text": "-1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0,
"aggregate_max": 0,
"aggregate_q1": 0,
"... | 890 | 852 | 463 | id | train_exact_bucket.v27_safety | identity | {"assay_method_and_endpoint":"Reactive-oxygen-species (ROS) measurement in oocytes (elevated) after ActD incubation","biological_system":"Mouse (Mus musculus) oocytes","canonical_assay_context":"cellular/intracellular ROS level","canonical_measurement_scale_id":"ames_mechanism_direction.v1","confidence":0.7,"cytotoxici... | {"assay_method_and_endpoint":"intracellular ROS levels in oocytes (measurement method not specified in the provided window)","biological_system":"bovine oocytes, in vitro-aged model","canonical_assay_context":"cellular/intracellular ROS level","canonical_measurement_scale_id":"ames_mechanism_direction.v1","confidence":... | L5 | gold_v1 | sr_548cc49e2f064129b088973648dc906d | sr_80cf99b0e81a4408af0a1e73abfed878 | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","cellular/intracellular ROS level"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1</SMILES>
- Assay method and endpoint: MitoSOX mitochondrial superoxide staining quantified after complex I inhibi... | (A) | train | d5cf8c9bca3daeaba60e38e17a82acc9653a77f58bcfee4d2086972ccbcc1f65 | -1 | null | -1 | null | null | null | ames | mutagenicity_mechanism | limited_balanced_parent_morgan_first.v28_safety | ames:f4e998870e6719e7b7c0e3ae532f1b8eec7be0b01f73eb2c9225bd006018adb1 | ames:a56928e2b09f74b1b3d35525364c29aadd02d43df60f26401dd73b1e83db065b | ames:f4e998870e6719e7b7c0e3ae532f1b8eec7be0b01f73eb2c9225bd006018adb1 | ames:a56928e2b09f74b1b3d35525364c29aadd02d43df60f26401dd73b1e83db065b | SWOUGYWWWKWUBI-UHFFFAOYSA-N | JUVIOZPCNVVQFO-HBGVWJBISA-N | Nc1ccc2c(c1)C(c1ccccc1)N(CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(N)ccc1-2 | C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1 | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","mitochondrial superoxide (MitoSOX fluorescence)","L5"] | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","mitochondrial superoxide (MitoSOX fluorescence)","L5"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_method_and_endpoint=MitoSOX superoxide/ROS fluorescence staining in the pharyngeal bulb",
"biological_system=C. elegans daf-2 insulin/IGF-1 receptor mutant worms",
"canonical_assay_context=mitochondrial superoxide (MitoSOX fluorescence)",
"canonical_measurement_scale_id=ames_mechanism_direction.v1",
... | [
"assay_method_and_endpoint=MitoSOX mitochondrial superoxide staining quantified after complex I inhibition with rotenone",
"biological_system=H1299/pGene-Romo1 inducible human lung cancer cells; mitochondria incubated with MitoSOX",
"canonical_assay_context=mitochondrial superoxide (MitoSOX fluorescence)",
"c... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 1 | 1 | 0 | 0.951935 | {
"nontransfer": 0.01798620996209155,
"transfer": 0.9820137900379085
} | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","mitochondrial superoxide (MitoSOX fluorescence)","L5"] | L5 | ordinal | {
"calibration_sha256": "1aa9f7be63872abe2d4ede96747a341a55aade42fb93e95c6579c6fc2609e8fb",
"groups": {
"assay_concept": "L5",
"measurement_kind": "ordinal",
"query_condition_group": "[\"mutagenicity_mechanism\",\"ros_or_redox_assay\",\"signed_effect_direction\",\"ames_mechanism_direction.v1\",\"mitocho... | 0 | 0 | 0.982014 | 0.951935 | 0.982014 | 0.017986 | safety_canonical_v27 | 1 | true | 0.098901 | -1 | -1 | -1 | indirect_record | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","mitochondrial superoxide (MitoSOX fluorescence)","L5"] | SWOUGYWWWKWUBI-UHFFFAOYSA-N | JUVIOZPCNVVQFO-HBGVWJBISA-N | c1ccc(C2c3ccccc3-c3ccccc3N2CCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 | O=C1c2ccc3c(c2OC2COc4ccccc4C12)CCO3 | {
"aggregation_method": "individual_record",
"display_measurement_text": "0",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1,
"aggregate_max": 1,
"aggregate_q1": 1,
"a... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1,
"aggregate_max": 1,
"aggregate_q1": 1,
"a... | 344 | 331 | 179 | id | train_exact_bucket.v27_safety | identity | {"assay_method_and_endpoint":"MitoSOX superoxide/ROS fluorescence staining in the pharyngeal bulb","biological_system":"C. elegans daf-2 insulin/IGF-1 receptor mutant worms","canonical_assay_context":"mitochondrial superoxide (MitoSOX fluorescence)","canonical_measurement_scale_id":"ames_mechanism_direction.v1","confid... | {"assay_method_and_endpoint":"MitoSOX mitochondrial superoxide staining quantified after complex I inhibition with rotenone","biological_system":"H1299/pGene-Romo1 inducible human lung cancer cells; mitochondria incubated with MitoSOX","canonical_assay_context":"mitochondrial superoxide (MitoSOX fluorescence)","canonic... | L5 | gold_v1 | sr_f9212da8f080486a925f4f88b248ea13 | sr_7de9096505d740a7912c1ab3dbc9e136 | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","mitochondrial superoxide (MitoSOX fluorescence)"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CC(=O)C1=CCC[C@@H]2CC[C@H]1N2</SMILES>
- Assay method and endpoint: Intracellular GSH content
- Biological system: Carp (Cyprinus carpio) fish lymphocytes in vitro
- Canonical a... | (A) | train | 779187a6c1a520ab61625bd35c7f32cdde16fff0c6a1eab6d2ca084636b61b39 | -1 | null | -1 | null | null | null | ames | mutagenicity_mechanism | limited_balanced_parent_morgan_first.v28_safety | ames:5a1b381a95ed172cb98ccb77595fe7609081eb7d3671dc3604c7eb5b342f29c5 | ames:513699feabaca9c6a4c63de898b905ed47732f7eea914839ab1013b9ce9b4f71 | ames:5a1b381a95ed172cb98ccb77595fe7609081eb7d3671dc3604c7eb5b342f29c5 | ames:513699feabaca9c6a4c63de898b905ed47732f7eea914839ab1013b9ce9b4f71 | FAMPSKZZVDUYOS-VHAXJKOXSA-N | SGNXVBOIDPPRJJ-PSASIEDQSA-N | C/C1=C/CC(C)(C)/C=C/C/C(C)=C/CC1 | CC(=O)C1=CCC[C@@H]2CC[C@H]1N2 | ["mutagenicity_mechanism","antioxidant_or_thiol_assay","signed_effect_direction","ames_mechanism_direction.v1","glutathione level","L5"] | ["mutagenicity_mechanism","antioxidant_or_thiol_assay","signed_effect_direction","ames_mechanism_direction.v1","glutathione level","L5"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_method_and_endpoint=Glutathione depletion (reduced cellular glutathione level); detection method and cell system not specified in this review summary",
"canonical_assay_context=glutathione level",
"canonical_measurement_scale_id=ames_mechanism_direction.v1",
"endpoint_name=antioxidant_or_thiol_assay",
... | [
"assay_method_and_endpoint=Intracellular GSH content",
"biological_system=Carp (Cyprinus carpio) fish lymphocytes in vitro",
"canonical_assay_context=glutathione level",
"canonical_measurement_scale_id=ames_mechanism_direction.v1",
"endpoint_name=antioxidant_or_thiol_assay",
"exposure_and_mechanistic_cond... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 0 | 0 | 0 | 0.960293 | {
"nontransfer": 0.01798620996209155,
"transfer": 0.9820137900379085
} | ["mutagenicity_mechanism","antioxidant_or_thiol_assay","signed_effect_direction","ames_mechanism_direction.v1","glutathione level","L5"] | L5 | ordinal | {
"calibration_sha256": "1aa9f7be63872abe2d4ede96747a341a55aade42fb93e95c6579c6fc2609e8fb",
"groups": {
"assay_concept": "L5",
"measurement_kind": "ordinal",
"query_condition_group": "[\"mutagenicity_mechanism\",\"antioxidant_or_thiol_assay\",\"signed_effect_direction\",\"ames_mechanism_direction.v1\",\... | 0 | 0 | 0.982014 | 0.960293 | 0.982014 | 0.017986 | safety_canonical_v27 | 1 | true | 0.125 | -1 | -1 | -1 | indirect_record | ["mutagenicity_mechanism","antioxidant_or_thiol_assay","signed_effect_direction","ames_mechanism_direction.v1","glutathione level","L5"] | FAMPSKZZVDUYOS-VHAXJKOXSA-N | SGNXVBOIDPPRJJ-PSASIEDQSA-N | C1=CCCC=CCCC=CC1 | C1=CC2CCC(CC1)N2 | {
"aggregation_method": "individual_record",
"display_measurement_text": "-1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0,
"aggregate_max": 0,
"aggregate_q1": 0,
"... | {
"aggregation_method": "individual_record",
"display_measurement_text": "-1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0,
"aggregate_max": 0,
"aggregate_q1": 0,
"... | 82 | 82 | 59 | id | train_exact_bucket.v27_safety | identity | {"assay_method_and_endpoint":"Glutathione depletion (reduced cellular glutathione level); detection method and cell system not specified in this review summary","biological_system":null,"canonical_assay_context":"glutathione level","canonical_measurement_scale_id":"ames_mechanism_direction.v1","confidence":0.6,"cytotox... | {"assay_method_and_endpoint":"Intracellular GSH content","biological_system":"Carp (Cyprinus carpio) fish lymphocytes in vitro","canonical_assay_context":"glutathione level","canonical_measurement_scale_id":"ames_mechanism_direction.v1","confidence":0.7,"cytotoxicity_status":null,"endpoint_name":"antioxidant_or_thiol_a... | L5 | gold_v1 | sr_79602e1eafd34153a2dd5807d2624b00 | sr_f7c4197da28047ddbaa2aee6630deddb | ["mutagenicity_mechanism","antioxidant_or_thiol_assay","signed_effect_direction","ames_mechanism_direction.v1","glutathione level"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C</SMILES>
- Assay method and endpoint: CYP1A activity measured by ethoxyresorufin O-deethylase (EROD) assay in hepatic mi... | (A) | train | f1137e837670de8a6de2d728156b5f30a6bc2c67776ca3963dac06b81de8290a | -1 | null | -1 | null | null | null | ames | mutagenicity_mechanism | limited_balanced_parent_morgan_first.v28_safety | ames:3c8537a2bb26b48ae8351d3e2d6ca9742306594c5628d3279d15c702f8add507 | ames:a8858af579e26467dce0af3d1e693729f0e155ca018a363e13eef52968927f8e | ames:3c8537a2bb26b48ae8351d3e2d6ca9742306594c5628d3279d15c702f8add507 | ames:a8858af579e26467dce0af3d1e693729f0e155ca018a363e13eef52968927f8e | CSCPPACGZOOCGX-UHFFFAOYSA-N | WXCMHFPAUCOJIG-UHFFFAOYSA-N | CC(C)=O | CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C | ["mutagenicity_mechanism","metabolic_enzyme_activity_or_inactivation","signed_effect_direction","ames_mechanism_direction.v1","CYP1A EROD activity","L5"] | ["mutagenicity_mechanism","metabolic_enzyme_activity_or_inactivation","signed_effect_direction","ames_mechanism_direction.v1","CYP1A EROD activity","L5"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_method_and_endpoint=Ethoxyresorufin O-deethylase (EROD, CYP1A monooxygenase) activity in tissue homogenate",
"biological_system=Hepatopancreas and gill tissue of Penaeus aztecus",
"canonical_assay_context=CYP1A EROD activity",
"canonical_measurement_scale_id=ames_mechanism_direction.v1",
"endpoint_na... | [
"assay_method_and_endpoint=CYP1A activity measured by ethoxyresorufin O-deethylase (EROD) assay in hepatic microsomes",
"biological_system=liver microsomal fractions of Cyprinus carpio",
"canonical_assay_context=CYP1A EROD activity",
"canonical_measurement_scale_id=ames_mechanism_direction.v1",
"endpoint_na... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 0 | 0 | 0 | 0.911589 | {
"nontransfer": 0.01798620996209155,
"transfer": 0.9820137900379085
} | ["mutagenicity_mechanism","metabolic_enzyme_activity_or_inactivation","signed_effect_direction","ames_mechanism_direction.v1","CYP1A EROD activity","L5"] | L5 | ordinal | {
"calibration_sha256": "1aa9f7be63872abe2d4ede96747a341a55aade42fb93e95c6579c6fc2609e8fb",
"groups": {
"assay_concept": "L5",
"measurement_kind": "ordinal",
"query_condition_group": "[\"mutagenicity_mechanism\",\"metabolic_enzyme_activity_or_inactivation\",\"signed_effect_direction\",\"ames_mechanism_d... | 0 | 0 | 0.982014 | 0.911589 | 0.982014 | 0.017986 | safety_canonical_v27 | 1 | true | 0.178571 | -1 | -1 | -1 | indirect_record | ["mutagenicity_mechanism","metabolic_enzyme_activity_or_inactivation","signed_effect_direction","ames_mechanism_direction.v1","CYP1A EROD activity","L5"] | CSCPPACGZOOCGX-UHFFFAOYSA-N | WXCMHFPAUCOJIG-UHFFFAOYSA-N | parent:CSCPPACGZOOCGX-UHFFFAOYSA-N | c1ccccc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "-1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0,
"aggregate_max": 0,
"aggregate_q1": 0,
"... | {
"aggregation_method": "individual_record",
"display_measurement_text": "-1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0,
"aggregate_max": 0,
"aggregate_q1": 0,
"... | 330 | 269 | 150 | id | train_exact_bucket.v27_safety | identity | {"assay_method_and_endpoint":"Ethoxyresorufin O-deethylase (EROD, CYP1A monooxygenase) activity in tissue homogenate","biological_system":"Hepatopancreas and gill tissue of Penaeus aztecus","canonical_assay_context":"CYP1A EROD activity","canonical_measurement_scale_id":"ames_mechanism_direction.v1","confidence":0.7,"c... | {"assay_method_and_endpoint":"CYP1A activity measured by ethoxyresorufin O-deethylase (EROD) assay in hepatic microsomes","biological_system":"liver microsomal fractions of Cyprinus carpio","canonical_assay_context":"CYP1A EROD activity","canonical_measurement_scale_id":"ames_mechanism_direction.v1","confidence":0.8,"c... | L5 | gold_v1 | sr_b551d3b2918c4ec98fc73ea1ef46e17f | sr_30a0d70ff2fc4347b78b0499238bd641 | ["mutagenicity_mechanism","metabolic_enzyme_activity_or_inactivation","signed_effect_direction","ames_mechanism_direction.v1","CYP1A EROD activity"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CCCC(CCC)C(=O)O</SMILES>
- Assay method and endpoint: ROS production measured by fluorescence during a time course (Fig. 4F)
- Biological system: LO2 human hepatocyte cell line,... | (A) | train | c97f0f9c633e807730301bf52e354ec49ed15a350cecb8570b4fedfec8677bb1 | -1 | null | -1 | null | null | null | ames | mutagenicity_mechanism | limited_balanced_parent_morgan_first.v28_safety | ames:2e784a27a9e8fcd5373641e98d07817444f40d855fd1906e417d8a68652a1cfa | ames:c28bc8e303763b6cd01d12d4a87f5e3bf30a1b49ffd3d772a277948c4ec42e2e | ames:2e784a27a9e8fcd5373641e98d07817444f40d855fd1906e417d8a68652a1cfa | ames:c28bc8e303763b6cd01d12d4a87f5e3bf30a1b49ffd3d772a277948c4ec42e2e | BJHIKXHVCXFQLS-UYFOZJQFSA-N | NIJJYAXOARWZEE-UHFFFAOYSA-N | O=C(CO)[C@@H](O)[C@H](O)[C@H](O)CO | CCCC(CCC)C(=O)O | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","cellular ROS (fluorescence)","L5"] | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","cellular ROS (fluorescence)","L5"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_method_and_endpoint=total ROS fluorescence intensity measurement",
"biological_system=cultured hepatocytes: primary rat hepatocytes, RHPCs, HLO2, and HepG2 cells",
"canonical_assay_context=cellular ROS (fluorescence)",
"canonical_measurement_scale_id=ames_mechanism_direction.v1",
"endpoint_name=ros_o... | [
"assay_method_and_endpoint=ROS production measured by fluorescence during a time course (Fig. 4F)",
"biological_system=LO2 human hepatocyte cell line, in vitro",
"canonical_assay_context=cellular ROS (fluorescence)",
"canonical_measurement_scale_id=ames_mechanism_direction.v1",
"endpoint_name=ros_or_redox_a... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 2 | 2 | 0 | 0.959724 | {
"nontransfer": 0.01798620996209155,
"transfer": 0.9820137900379085
} | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","cellular ROS (fluorescence)","L5"] | L5 | ordinal | {
"calibration_sha256": "1aa9f7be63872abe2d4ede96747a341a55aade42fb93e95c6579c6fc2609e8fb",
"groups": {
"assay_concept": "L5",
"measurement_kind": "ordinal",
"query_condition_group": "[\"mutagenicity_mechanism\",\"ros_or_redox_assay\",\"signed_effect_direction\",\"ames_mechanism_direction.v1\",\"cellula... | 0 | 0 | 0.982014 | 0.959724 | 0.982014 | 0.017986 | safety_canonical_v27 | 1 | true | 0.166667 | -1 | -1 | -1 | indirect_record | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","cellular ROS (fluorescence)","L5"] | BJHIKXHVCXFQLS-UYFOZJQFSA-N | NIJJYAXOARWZEE-UHFFFAOYSA-N | parent:BJHIKXHVCXFQLS-UYFOZJQFSA-N | parent:NIJJYAXOARWZEE-UHFFFAOYSA-N | {
"aggregation_method": "individual_record",
"display_measurement_text": "1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2,
"aggregate_max": 2,
"aggregate_q1": 2,
"a... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2,
"aggregate_max": 2,
"aggregate_q1": 2,
"a... | 372 | 360 | 223 | id | train_exact_bucket.v27_safety | identity | {"assay_method_and_endpoint":"total ROS fluorescence intensity measurement","biological_system":"cultured hepatocytes: primary rat hepatocytes, RHPCs, HLO2, and HepG2 cells","canonical_assay_context":"cellular ROS (fluorescence)","canonical_measurement_scale_id":"ames_mechanism_direction.v1","confidence":0.8,"cytotoxic... | {"assay_method_and_endpoint":"ROS production measured by fluorescence during a time course (Fig. 4F)","biological_system":"LO2 human hepatocyte cell line, in vitro","canonical_assay_context":"cellular ROS (fluorescence)","canonical_measurement_scale_id":"ames_mechanism_direction.v1","confidence":0.6,"cytotoxicity_statu... | L5 | gold_v1 | sr_2ef3e8356fab4c08b2d900d94f68cbf6 | sr_a364c2f01967428f869344b411f22363 | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","cellular ROS (fluorescence)"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CC(O)c1ccc(O)c(O)c1</SMILES>
- Assay method and endpoint: Measurement of cellular ROS formation; HT suppresses OPP-induced ROS production in HepG2 cells
- Biological system: rat... | (B) | train | 5cf73dd5fe159d62250978ca795d896fdec9718b934ac2445defbd6e59792d5b | -1 | null | -1 | null | null | null | ames | mutagenicity_mechanism | limited_balanced_parent_morgan_first.v28_safety | ames:99810e65746d4fac3d18d15baf6fc84f702d75a6e4692e1856680a9dd0bf79b7 | ames:95f5a5467452f2db3419304f927c058bef8aa20f39e6f3d591e1a8d0e7048993 | ames:99810e65746d4fac3d18d15baf6fc84f702d75a6e4692e1856680a9dd0bf79b7 | ames:95f5a5467452f2db3419304f927c058bef8aa20f39e6f3d591e1a8d0e7048993 | KEQHJBNSCLWCAE-UHFFFAOYSA-N | LOXKYYNKSCBYLB-UHFFFAOYSA-N | CC1=CC(=O)C(C(C)C)=CC1=O | CC(O)c1ccc(O)c(O)c1 | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","cellular ROS level","L5"] | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","cellular ROS level","L5"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_method_and_endpoint=Reactive oxygen species (ROS) production in medulloblastoma cells",
"biological_system=Medulloblastoma (MB) cells",
"canonical_assay_context=cellular ROS level",
"canonical_measurement_scale_id=ames_mechanism_direction.v1",
"endpoint_name=ros_or_redox_assay",
"exposure_and_mecha... | [
"assay_method_and_endpoint=Measurement of cellular ROS formation; HT suppresses OPP-induced ROS production in HepG2 cells",
"biological_system=rat HepG2 cells",
"canonical_assay_context=cellular ROS level",
"canonical_measurement_scale_id=ames_mechanism_direction.v1",
"endpoint_name=ros_or_redox_assay",
"... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | far | 2 | 0 | 2 | 0.976147 | {
"nontransfer": 0.9999999309700157,
"transfer": 6.902998428672814e-8
} | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","cellular ROS level","L5"] | L5 | ordinal | {
"calibration_sha256": "1aa9f7be63872abe2d4ede96747a341a55aade42fb93e95c6579c6fc2609e8fb",
"groups": {
"assay_concept": "L5",
"measurement_kind": "ordinal",
"query_condition_group": "[\"mutagenicity_mechanism\",\"ros_or_redox_assay\",\"signed_effect_direction\",\"ames_mechanism_direction.v1\",\"cellula... | 2 | 2.048872 | 0 | 0.976147 | 0 | 1 | safety_canonical_v27 | 0 | true | 0.147059 | -1 | -1 | -1 | indirect_record | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","cellular ROS level","L5"] | KEQHJBNSCLWCAE-UHFFFAOYSA-N | LOXKYYNKSCBYLB-UHFFFAOYSA-N | O=C1C=CC(=O)C=C1 | c1ccccc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2,
"aggregate_max": 2,
"aggregate_q1": 2,
"a... | {
"aggregation_method": "individual_record",
"display_measurement_text": "-1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0,
"aggregate_max": 0,
"aggregate_q1": 0,
"... | 1,453 | 1,384 | 668 | id | train_exact_bucket.v27_safety | identity | {"assay_method_and_endpoint":"Reactive oxygen species (ROS) production in medulloblastoma cells","biological_system":"Medulloblastoma (MB) cells","canonical_assay_context":"cellular ROS level","canonical_measurement_scale_id":"ames_mechanism_direction.v1","confidence":0.55,"cytotoxicity_status":null,"endpoint_name":"ro... | {"assay_method_and_endpoint":"Measurement of cellular ROS formation; HT suppresses OPP-induced ROS production in HepG2 cells","biological_system":"rat HepG2 cells","canonical_assay_context":"cellular ROS level","canonical_measurement_scale_id":"ames_mechanism_direction.v1","confidence":0.6,"cytotoxicity_status":null,"e... | L5 | gold_v1 | sr_ac32ca0820f246c1ad311bd827b3aae5 | sr_765b567da3634fae84d4aeff826d4193 | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","cellular ROS level"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CC(=O)N[C@@H](CS)C(=O)O</SMILES>
- Assay method and endpoint: MDA tissue levels as lipid peroxidation marker
- Biological system: In vivo rat liver tissue
- Canonical assay cont... | (B) | train | 8076c051fa46bf21802441f32b79fa407f9eefa39273737488d4063136bda3e1 | -1 | null | -1 | null | null | null | ames | mutagenicity_mechanism | limited_balanced_parent_morgan_first.v28_safety | ames:3bdb8ead8f7f48fcdd33e16315071bafef5cc3f6372a63cea6b7f66381036a7a | ames:300b8581b97861cc07d45ff2605822c10eb95fcdb50d2509700602afbcdecfe7 | ames:3bdb8ead8f7f48fcdd33e16315071bafef5cc3f6372a63cea6b7f66381036a7a | ames:300b8581b97861cc07d45ff2605822c10eb95fcdb50d2509700602afbcdecfe7 | FFFHZYDWPBMWHY-VKHMYHEASA-N | PWKSKIMOESPYIA-BYPYZUCNSA-N | N[C@@H](CCS)C(=O)O | CC(=O)N[C@@H](CS)C(=O)O | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","lipid peroxidation (MDA)","L5"] | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","lipid peroxidation (MDA)","L5"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_method_and_endpoint=Lipid peroxidation measured as MDA (nmoles MDA/mg protein) in hippocampus homogenate",
"biological_system=In vivo Rattus norvegicus hyperhomocysteinemia model; hippocampus homogenate",
"canonical_assay_context=lipid peroxidation (MDA)",
"canonical_measurement_scale_id=ames_mechanism... | [
"assay_method_and_endpoint=MDA tissue levels as lipid peroxidation marker",
"biological_system=In vivo rat liver tissue",
"canonical_assay_context=lipid peroxidation (MDA)",
"canonical_measurement_scale_id=ames_mechanism_direction.v1",
"endpoint_name=oxidative_damage_assay",
"exposure_and_mechanistic_cond... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | far | 2 | 0 | 2 | 0.963224 | {
"nontransfer": 0.9999999475600923,
"transfer": 5.243990779458011e-8
} | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","lipid peroxidation (MDA)","L5"] | L5 | ordinal | {
"calibration_sha256": "1aa9f7be63872abe2d4ede96747a341a55aade42fb93e95c6579c6fc2609e8fb",
"groups": {
"assay_concept": "L5",
"measurement_kind": "ordinal",
"query_condition_group": "[\"mutagenicity_mechanism\",\"oxidative_damage_assay\",\"signed_effect_direction\",\"ames_mechanism_direction.v1\",\"lip... | 2 | 2.07636 | 0 | 0.963224 | 0 | 1 | safety_canonical_v27 | 0 | true | 0.3 | -1 | -1 | -1 | indirect_record | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","lipid peroxidation (MDA)","L5"] | FFFHZYDWPBMWHY-VKHMYHEASA-N | PWKSKIMOESPYIA-BYPYZUCNSA-N | parent:FFFHZYDWPBMWHY-VKHMYHEASA-N | parent:PWKSKIMOESPYIA-BYPYZUCNSA-N | {
"aggregation_method": "individual_record",
"display_measurement_text": "1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2,
"aggregate_max": 2,
"aggregate_q1": 2,
"a... | {
"aggregation_method": "individual_record",
"display_measurement_text": "-1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0,
"aggregate_max": 0,
"aggregate_q1": 0,
"... | 1,657 | 1,581 | 601 | id | train_exact_bucket.v27_safety | identity | {"assay_method_and_endpoint":"Lipid peroxidation measured as MDA (nmoles MDA/mg protein) in hippocampus homogenate","biological_system":"In vivo Rattus norvegicus hyperhomocysteinemia model; hippocampus homogenate","canonical_assay_context":"lipid peroxidation (MDA)","canonical_measurement_scale_id":"ames_mechanism_dir... | {"assay_method_and_endpoint":"MDA tissue levels as lipid peroxidation marker","biological_system":"In vivo rat liver tissue","canonical_assay_context":"lipid peroxidation (MDA)","canonical_measurement_scale_id":"ames_mechanism_direction.v1","confidence":0.8,"cytotoxicity_status":null,"endpoint_name":"oxidative_damage_a... | L5 | gold_v1 | sr_f57ee441fcb14affb277adaaf0d0b9de | sr_4d95b97f7f19458d90ef544de9a318c6 | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","lipid peroxidation (MDA)"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1</SMILES>
- Assay method and endpoint: MDA (malondialdehyde) level as lipid peroxidation/oxidative damage marker
- Biological system: HUVECs ... | (B) | train | bf535525d3b079428d162e5ffe0aa8ecae6ee7a7b3dbda4fe856a90ef98ab9da | -1 | null | -1 | null | null | null | ames | mutagenicity_mechanism | limited_balanced_parent_morgan_first.v28_safety | ames:bd05d5daf03397d61660e999c64e1dbab06ad01661943161ad54f6ba6353a807 | ames:8398b874548ba36a3f7a475689a1f930787be54d2bf319d0bcf0767c1d9d1764 | ames:bd05d5daf03397d61660e999c64e1dbab06ad01661943161ad54f6ba6353a807 | ames:8398b874548ba36a3f7a475689a1f930787be54d2bf319d0bcf0767c1d9d1764 | UVBUBMSSQKOIBE-DSLOAKGESA-N | NLDDIKRKFXEWBK-AWEZNQCLSA-N | CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O | CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","lipid peroxidation (MDA)","L5"] | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","lipid peroxidation (MDA)","L5"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_method_and_endpoint=Lipid peroxidation measured via MDA (malondialdehyde) levels",
"biological_system=Oesophageal (SNO) cancer cells",
"canonical_assay_context=lipid peroxidation (MDA)",
"canonical_measurement_scale_id=ames_mechanism_direction.v1",
"endpoint_name=oxidative_damage_assay",
"mechanism... | [
"assay_method_and_endpoint=MDA (malondialdehyde) level as lipid peroxidation/oxidative damage marker",
"biological_system=HUVECs (human umbilical vein endothelial cells), human",
"canonical_assay_context=lipid peroxidation (MDA)",
"canonical_measurement_scale_id=ames_mechanism_direction.v1",
"endpoint_name=... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | far | 2 | 0 | 2 | 0.963224 | {
"nontransfer": 0.9999999475600923,
"transfer": 5.243990779458011e-8
} | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","lipid peroxidation (MDA)","L5"] | L5 | ordinal | {
"calibration_sha256": "1aa9f7be63872abe2d4ede96747a341a55aade42fb93e95c6579c6fc2609e8fb",
"groups": {
"assay_concept": "L5",
"measurement_kind": "ordinal",
"query_condition_group": "[\"mutagenicity_mechanism\",\"oxidative_damage_assay\",\"signed_effect_direction\",\"ames_mechanism_direction.v1\",\"lip... | 2 | 2.07636 | 0 | 0.963224 | 0 | 1 | safety_canonical_v27 | 0 | true | 0.21519 | -1 | -1 | -1 | indirect_record | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","lipid peroxidation (MDA)","L5"] | UVBUBMSSQKOIBE-DSLOAKGESA-N | NLDDIKRKFXEWBK-AWEZNQCLSA-N | parent:UVBUBMSSQKOIBE-DSLOAKGESA-N | c1ccccc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2,
"aggregate_max": 2,
"aggregate_q1": 2,
"a... | {
"aggregation_method": "individual_record",
"display_measurement_text": "-1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0,
"aggregate_max": 0,
"aggregate_q1": 0,
"... | 1,657 | 1,581 | 601 | id | train_exact_bucket.v27_safety | identity | {"assay_method_and_endpoint":"Lipid peroxidation measured via MDA (malondialdehyde) levels","biological_system":"Oesophageal (SNO) cancer cells","canonical_assay_context":"lipid peroxidation (MDA)","canonical_measurement_scale_id":"ames_mechanism_direction.v1","confidence":0.5,"cytotoxicity_status":null,"endpoint_name"... | {"assay_method_and_endpoint":"MDA (malondialdehyde) level as lipid peroxidation/oxidative damage marker","biological_system":"HUVECs (human umbilical vein endothelial cells), human","canonical_assay_context":"lipid peroxidation (MDA)","canonical_measurement_scale_id":"ames_mechanism_direction.v1","confidence":0.85,"cyt... | L5 | gold_v1 | sr_f8a23daa9bf64947b6ee001e851e933b | sr_f15a994813fd4421aad3703c70ed3343 | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","lipid peroxidation (MDA)"] | |
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]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12</SMILES>
- Assay method and endpoint: Glutathione content measurement in rat liver
- Biologi... | (B) | train | 297ea815c71e604e7a43d42660069cb33580cd8d114375bcf1ce9308caad0385 | -1 | null | -1 | null | null | null | ames | mutagenicity_mechanism | limited_balanced_parent_morgan_first.v28_safety | ames:ebb905016a3e8ec58e59591a64bd798f15f46b5c4b358fe77466eb35284d437f | ames:a01fb1269cb4639f2bd85f9d6cd3cf2b219c5dbc8e5ce27bd4b070825a785096 | ames:ebb905016a3e8ec58e59591a64bd798f15f46b5c4b358fe77466eb35284d437f | ames:a01fb1269cb4639f2bd85f9d6cd3cf2b219c5dbc8e5ce27bd4b070825a785096 | PHEDXBVPIONUQT-RGYGYFBISA-N | IBFYXTRXDNAPMM-BVTMAQQCSA-N | CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(C)=O | COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12 | ["mutagenicity_mechanism","antioxidant_or_thiol_assay","signed_effect_direction","ames_mechanism_direction.v1","glutathione level","L5"] | ["mutagenicity_mechanism","antioxidant_or_thiol_assay","signed_effect_direction","ames_mechanism_direction.v1","glutathione level","L5"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_method_and_endpoint=glutathione depletion measurement reflecting redox/antioxidant status",
"biological_system=E47 HepG2 cells stably overexpressing CYP2E1; inactive-analog control 4-alpha-TPA",
"canonical_assay_context=glutathione level",
"canonical_measurement_scale_id=ames_mechanism_direction.v1",
... | [
"assay_method_and_endpoint=Glutathione content measurement in rat liver",
"biological_system=Rattus norvegicus liver",
"canonical_assay_context=glutathione level",
"canonical_measurement_scale_id=ames_mechanism_direction.v1",
"endpoint_name=antioxidant_or_thiol_assay",
"mechanism_category=oxidative_stress... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | far | 0 | 2 | 2 | 0.960293 | {
"nontransfer": 0.9999999507809019,
"transfer": 4.921909811414148e-8
} | ["mutagenicity_mechanism","antioxidant_or_thiol_assay","signed_effect_direction","ames_mechanism_direction.v1","glutathione level","L5"] | L5 | ordinal | {
"calibration_sha256": "1aa9f7be63872abe2d4ede96747a341a55aade42fb93e95c6579c6fc2609e8fb",
"groups": {
"assay_concept": "L5",
"measurement_kind": "ordinal",
"query_condition_group": "[\"mutagenicity_mechanism\",\"antioxidant_or_thiol_assay\",\"signed_effect_direction\",\"ames_mechanism_direction.v1\",\... | 2 | 2.082698 | 0 | 0.960293 | 0 | 1 | safety_canonical_v27 | 0 | true | 0.125 | -1 | -1 | -1 | indirect_record | ["mutagenicity_mechanism","antioxidant_or_thiol_assay","signed_effect_direction","ames_mechanism_direction.v1","glutathione level","L5"] | PHEDXBVPIONUQT-RGYGYFBISA-N | IBFYXTRXDNAPMM-BVTMAQQCSA-N | O=C1C=CC2C1CC=CC1C3CC3CCC21 | C1=CC2C(C=COC2OC2CCCCO2)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "-1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0,
"aggregate_max": 0,
"aggregate_q1": 0,
"... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2,
"aggregate_max": 2,
"aggregate_q1": 2,
"a... | 82 | 82 | 59 | id | train_exact_bucket.v27_safety | identity | {"assay_method_and_endpoint":"glutathione depletion measurement reflecting redox/antioxidant status","biological_system":"E47 HepG2 cells stably overexpressing CYP2E1; inactive-analog control 4-alpha-TPA","canonical_assay_context":"glutathione level","canonical_measurement_scale_id":"ames_mechanism_direction.v1","confi... | {"assay_method_and_endpoint":"Glutathione content measurement in rat liver","biological_system":"Rattus norvegicus liver","canonical_assay_context":"glutathione level","canonical_measurement_scale_id":"ames_mechanism_direction.v1","confidence":0.4,"cytotoxicity_status":null,"endpoint_name":"antioxidant_or_thiol_assay",... | L5 | gold_v1 | sr_1766203716e346ebb6eaaa2d1cba6d7e | sr_86e0b8ee18784be0bf6988071628b9f1 | ["mutagenicity_mechanism","antioxidant_or_thiol_assay","signed_effect_direction","ames_mechanism_direction.v1","glutathione level"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>ClCCCl</SMILES>
- Assay method and endpoint: Hepatic malondialdehyde (MDA) level as lipid-peroxidation/oxidative-damage marker
- Biological system: Mouse (Mus musculus) liver
- ... | (A) | train | 57e07bb752cc33a2fd0a6ff8993744272d5bbf8beefbee88a855e0f45f25f577 | -1 | null | -1 | null | null | null | ames | mutagenicity_mechanism | limited_balanced_parent_morgan_first.v28_safety | ames:d28ab94e977de25e2d6a32372f0a4a6c87cbaa08d1661d24697efd21e5938087 | ames:aacec8788121a7a9a836c50a78e937c045a2e2bbc0394f951394b28d473d4a78 | ames:d28ab94e977de25e2d6a32372f0a4a6c87cbaa08d1661d24697efd21e5938087 | ames:aacec8788121a7a9a836c50a78e937c045a2e2bbc0394f951394b28d473d4a78 | CMSMOCZEIVJLDB-UHFFFAOYSA-N | WSLDOOZREJYCGB-UHFFFAOYSA-N | O=P1(N(CCCl)CCCl)NCCCO1 | ClCCCl | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","liver malondialdehyde (MDA) level","L5"] | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","liver malondialdehyde (MDA) level","L5"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_method_and_endpoint=MDA (malondialdehyde) level measured in liver tissue homogenate as a lipid peroxidation marker",
"biological_system=Rat liver tissue homogenate; in vivo after intraperitoneal injection",
"canonical_assay_context=liver malondialdehyde (MDA) level",
"canonical_measurement_scale_id=ame... | [
"assay_method_and_endpoint=Hepatic malondialdehyde (MDA) level as lipid-peroxidation/oxidative-damage marker",
"biological_system=Mouse (Mus musculus) liver",
"canonical_assay_context=liver malondialdehyde (MDA) level",
"canonical_measurement_scale_id=ames_mechanism_direction.v1",
"endpoint_name=oxidative_d... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | near | 2 | 2 | 0 | 0.986809 | {
"nontransfer": 0.01798620996209155,
"transfer": 0.9820137900379085
} | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","liver malondialdehyde (MDA) level","L5"] | L5 | ordinal | {
"calibration_sha256": "1aa9f7be63872abe2d4ede96747a341a55aade42fb93e95c6579c6fc2609e8fb",
"groups": {
"assay_concept": "L5",
"measurement_kind": "ordinal",
"query_condition_group": "[\"mutagenicity_mechanism\",\"oxidative_damage_assay\",\"signed_effect_direction\",\"ames_mechanism_direction.v1\",\"liv... | 0 | 0 | 0.982014 | 0.986809 | 0.982014 | 0.017986 | safety_canonical_v27 | 1 | true | 0.142857 | -1 | -1 | -1 | indirect_record | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","liver malondialdehyde (MDA) level","L5"] | CMSMOCZEIVJLDB-UHFFFAOYSA-N | WSLDOOZREJYCGB-UHFFFAOYSA-N | O=[PH]1NCCCO1 | parent:WSLDOOZREJYCGB-UHFFFAOYSA-N | {
"aggregation_method": "individual_record",
"display_measurement_text": "1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2,
"aggregate_max": 2,
"aggregate_q1": 2,
"a... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 2,
"aggregate_max": 2,
"aggregate_q1": 2,
"a... | 381 | 362 | 203 | id | train_exact_bucket.v27_safety | identity | {"assay_method_and_endpoint":"MDA (malondialdehyde) level measured in liver tissue homogenate as a lipid peroxidation marker","biological_system":"Rat liver tissue homogenate; in vivo after intraperitoneal injection","canonical_assay_context":"liver malondialdehyde (MDA) level","canonical_measurement_scale_id":"ames_me... | {"assay_method_and_endpoint":"Hepatic malondialdehyde (MDA) level as lipid-peroxidation/oxidative-damage marker","biological_system":"Mouse (Mus musculus) liver","canonical_assay_context":"liver malondialdehyde (MDA) level","canonical_measurement_scale_id":"ames_mechanism_direction.v1","confidence":0.85,"cytotoxicity_s... | L5 | gold_v1 | sr_32aab9cb8b154c068f9e8f60916969e1 | sr_4d1371684a574b4d9e70d3bfbf425888 | ["mutagenicity_mechanism","oxidative_damage_assay","signed_effect_direction","ames_mechanism_direction.v1","liver malondialdehyde (MDA) level"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1</SMILES>
- Assay method and endpoint: DCFH fluorescent probe measurement of intracellular ROS level
- Biological system: HUVECs (human umbil... | (B) | train | dc620b452d08ee73b3642fbc0363784dcc9f98207ce47c2375fa6e926d787661 | -1 | null | -1 | null | null | null | ames | mutagenicity_mechanism | limited_balanced_parent_morgan_first.v28_safety | ames:65fbb734aede7076bb963f46d9eea38461cb23e5728b153679e6b2ba990bd68a | ames:7636c508cbb47cfe87ae39dfafa2b27bd10299f068d49b5da3664487cba9fd91 | ames:65fbb734aede7076bb963f46d9eea38461cb23e5728b153679e6b2ba990bd68a | ames:7636c508cbb47cfe87ae39dfafa2b27bd10299f068d49b5da3664487cba9fd91 | YNZFFALZMRAPHQ-SYYKKAFVSA-N | NLDDIKRKFXEWBK-AWEZNQCLSA-N | CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 | CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","DCF fluorescence intracellular ROS assay","L5"] | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","DCF fluorescence intracellular ROS assay","L5"] | exact_v10_pair_bucket_and_level | exact_v10_pair_bucket_and_level | [
"assay_method_and_endpoint=DCFH2-DA (1 µM) staining with flow cytometry measuring DCF fluorescence (% DCF+ cells) as a measure of intracellular H2O2/ROS",
"biological_system=Peripheral blood lymphocytes (PBL); DCFH2-DA incubation 30 min at 37 °C in the dark, Epics XL flow cytometer (Beckman Coulter)",
"canonica... | [
"assay_method_and_endpoint=DCFH fluorescent probe measurement of intracellular ROS level",
"biological_system=HUVECs (human umbilical vein endothelial cells), Homo sapiens",
"canonical_assay_context=DCF fluorescence intracellular ROS assay",
"canonical_measurement_scale_id=ames_mechanism_direction.v1",
"end... | same_exact_v10_pair_bucket_and_level | 1 | 1 | null | null | null | null | far | 1 | 0 | 1 | 0.95332 | {
"nontransfer": 0.9984832341616331,
"transfer": 0.0015167658383669358
} | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","DCF fluorescence intracellular ROS assay","L5"] | L5 | ordinal | {
"calibration_sha256": "1aa9f7be63872abe2d4ede96747a341a55aade42fb93e95c6579c6fc2609e8fb",
"groups": {
"assay_concept": "L5",
"measurement_kind": "ordinal",
"query_condition_group": "[\"mutagenicity_mechanism\",\"ros_or_redox_assay\",\"signed_effect_direction\",\"ames_mechanism_direction.v1\",\"DCF flu... | 1 | 1.048966 | 0.001517 | 0.95332 | 0.001517 | 0.998483 | safety_canonical_v27 | 0 | true | 0.207792 | -1 | -1 | -1 | indirect_record | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","DCF fluorescence intracellular ROS assay","L5"] | YNZFFALZMRAPHQ-SYYKKAFVSA-N | NLDDIKRKFXEWBK-AWEZNQCLSA-N | c1ccc(C2CCCCC2)cc1 | c1ccccc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "0",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1,
"aggregate_max": 1,
"aggregate_q1": 1,
"a... | {
"aggregation_method": "individual_record",
"display_measurement_text": "-1",
"display_unit_text": "signed_effect_direction",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0,
"aggregate_max": 0,
"aggregate_q1": 0,
"... | 1,236 | 1,202 | 583 | id | train_exact_bucket.v27_safety | identity | {"assay_method_and_endpoint":"DCFH2-DA (1 \u00b5M) staining with flow cytometry measuring DCF fluorescence (% DCF+ cells) as a measure of intracellular H2O2/ROS","biological_system":"Peripheral blood lymphocytes (PBL); DCFH2-DA incubation 30 min at 37 \u00b0C in the dark, Epics XL flow cytometer (Beckman Coulter)","can... | {"assay_method_and_endpoint":"DCFH fluorescent probe measurement of intracellular ROS level","biological_system":"HUVECs (human umbilical vein endothelial cells), Homo sapiens","canonical_assay_context":"DCF fluorescence intracellular ROS assay","canonical_measurement_scale_id":"ames_mechanism_direction.v1","confidence... | L5 | gold_v1 | sr_f9af84aa7f044eea9081b1cd2342cce5 | sr_434b133d88a4489ba73e6229b3042228 | ["mutagenicity_mechanism","ros_or_redox_assay","signed_effect_direction","ames_mechanism_direction.v1","DCF fluorescence intracellular ROS assay"] |
End of preview. Expand in Data Studio
Ames record-level V27 L5
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': 21685, 'validation_ranking': 22748, 'test_ranking': 22418}
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