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pair_id
string
ranking_query_id
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ranking_member_index
int64
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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>C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl</SMILES> - Canonical assay context: micronucleus in cultured human lymphocytes - Canonical measurement scale id: ames_mutagenicity_ordinal.v1 - Ch...
(B)
train
c87350b6f0abe3b9fe16ff1c20421611ea49d356efb19d60c47c2333b8e4d01b
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:b2f4d45ff1a209b03eb96510a0d21fe9ba28857087d7e8ff4c6d0c6254921f21
ames:66bd390340d9672bcbd90daab128d062afc9fd966d547126f8aa7299b20e2502
ames:b2f4d45ff1a209b03eb96510a0d21fe9ba28857087d7e8ff4c6d0c6254921f21
ames:66bd390340d9672bcbd90daab128d062afc9fd966d547126f8aa7299b20e2502
LEZWWPYKPKIXLL-UHFFFAOYSA-N
PZBPKYOVPCNPJY-UHFFFAOYSA-N
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl
["mutagenicity_outcomes","micronucleus","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","micronucleus in cultured human lymphocytes","L3"]
["mutagenicity_outcomes","micronucleus","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","micronucleus in cultured human lymphocytes","L3"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=micronucleus in cultured human lymphocytes", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=micronucleus", "evidence_basis=current_study_experiment", "experimental_context=in_vitro", "metabolic_activation=no...
[ "canonical_assay_context=micronucleus in cultured human lymphocytes", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=micronucleus", "evidence_basis=current_study_experiment", "experimental_context=in_vitro", "metabolic_activation=no...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
0
2
2
0.651784
{ "nontransfer": 0.9999999999974246, "transfer": 2.5753777441034436e-12 }
["mutagenicity_outcomes","micronucleus","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","micronucleus in cultured human lymphocytes","L3"]
L3
ordinal
{ "calibration_sha256": "9fd24009a1018bfda1612454eaa043e432f41769b65b5c697dce9a6529856eeb", "groups": { "assay_concept": "L3", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"micronucleus\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\"micronucleus in...
2
3.068502
0
0.651784
0
1
safety_canonical_v27
0
true
0.714286
-1
-1
-1
indirect_record
["mutagenicity_outcomes","micronucleus","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","micronucleus in cultured human lymphocytes","L3"]
LEZWWPYKPKIXLL-UHFFFAOYSA-N
PZBPKYOVPCNPJY-UHFFFAOYSA-N
c1ccc(COC(Cn2ccnc2)c2ccccc2)cc1
c1ccc(CCn2ccnc2)cc1
{ "aggregation_method": "individual_record", "display_measurement_text": "0", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 0, "aggregate_max": 0, "aggregate_q1": 0, "agg...
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
1,023
978
329
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"micronucleus in cultured human lymphocytes","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"micronucleus","evidence_basis":"current_study_experiment","experimental_context":"in_vitro","extra_details":...
{"canonical_assay_context":"micronucleus in cultured human lymphocytes","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.8,"endpoint_name":"micronucleus","evidence_basis":"current_study_experiment","experimental_context":"in_vitro","extra_details":...
L3
gold_v1
sr_e4b10a4bacd444f296c3d8de1f0e31a3
sr_60310d0affcb4553b5f096f87dcd5285
["mutagenicity_outcomes","micronucleus","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","micronucleus in cultured human lymphocytes"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>c1ccc2c(c1)cc1ccc3cc4ccccc4c4ccc2c1c34</SMILES> - Canonical assay context: Mammalian cell gene mutation - Canonical measurement scale id: ames_mutagenicity_ordinal.v1 - Chemical...
(B)
train
2ff2e93659d36f1d3bf867f0b9e906c9d26ec98012510c564da1bbb13435ea9c
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:50faf87f2e5b479f3cb168292f05b89c61955815f91da7b10d2a05bfb1ae0fb5
ames:7420a157594920b4a6160c19a06abf92bcd8829bb04842a77c03df7bf54e094f
ames:50faf87f2e5b479f3cb168292f05b89c61955815f91da7b10d2a05bfb1ae0fb5
ames:7420a157594920b4a6160c19a06abf92bcd8829bb04842a77c03df7bf54e094f
GOHBXWHNJHENRX-UHFFFAOYSA-N
TUGYIJVAYAHHHM-UHFFFAOYSA-N
Cc1cc2ccccc2c2ccc3ccccc3c12
c1ccc2c(c1)cc1ccc3cc4ccccc4c4ccc2c1c34
["mutagenicity_outcomes","mammalian_cell_gene_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Mammalian cell gene mutation","L3"]
["mutagenicity_outcomes","mammalian_cell_gene_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Mammalian cell gene mutation","L3"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=Mammalian cell gene mutation", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=mammalian_cell_gene_mutation", "evidence_basis=cited_experiment", "experimental_context=in_vitro", "metabolic_activation=not_repo...
[ "canonical_assay_context=Mammalian cell gene mutation", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=mammalian_cell_gene_mutation", "evidence_basis=cited_experiment", "experimental_context=in_vitro", "metabolic_activation=not_repo...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
2
3
1
0.808398
{ "nontransfer": 0.9997683731203013, "transfer": 0.00023162687969869092 }
["mutagenicity_outcomes","mammalian_cell_gene_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Mammalian cell gene mutation","L3"]
L3
ordinal
{ "calibration_sha256": "9fd24009a1018bfda1612454eaa043e432f41769b65b5c697dce9a6529856eeb", "groups": { "assay_concept": "L3", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"mammalian_cell_gene_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\...
1
1.237015
0.000232
0.808398
0.000232
0.999768
safety_canonical_v27
0
true
0.592593
-1
-1
-1
indirect_record
["mutagenicity_outcomes","mammalian_cell_gene_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Mammalian cell gene mutation","L3"]
GOHBXWHNJHENRX-UHFFFAOYSA-N
TUGYIJVAYAHHHM-UHFFFAOYSA-N
c1ccc2c(c1)ccc1c3ccccc3ccc21
c1ccc2c(c1)cc1ccc3cc4ccccc4c4ccc2c1c34
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
{ "aggregation_method": "individual_record", "display_measurement_text": "3", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 3, "aggregate_max": 3, "aggregate_q1": 3, "agg...
756
717
382
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"Mammalian cell gene mutation","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.8,"endpoint_name":"mammalian_cell_gene_mutation","evidence_basis":"cited_experiment","experimental_context":"in_vitro","extra_details":"Relat...
{"canonical_assay_context":"Mammalian cell gene mutation","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.75,"endpoint_name":"mammalian_cell_gene_mutation","evidence_basis":"cited_experiment","experimental_context":"in_vitro","extra_details":"Rela...
L3
gold_v1
sr_3e07f049a37d402a85aac4e8e7331a4c
sr_df6b36cb04024548a52b5d93eaf517b9
["mutagenicity_outcomes","mammalian_cell_gene_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Mammalian cell gene mutation"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>O=Cc1c[nH]c2ccccc12</SMILES> - Biological test system: Mammalia; NIH 3T3; fibroblast - Canonical assay context: in vitro micronucleus assay - Canonical measurement scale id: ame...
(A)
train
97e06e7fa6d0d8b8317b77f59fbfe7eb5e8a4c155411365db39faaecbe34d95c
-1
null
-1
null
null
null
ames
fixed_mutation
limited_balanced_parent_morgan_first.v28_safety
ames:c8d4b1804014c33f4687051c34559f79f47b939a3ee5ece1ddeb952b6bf74176
ames:82fef70e93172d85cd6a24d555f07188084e3764592ec3cd4bc1c2ca4ac15d3a
ames:c8d4b1804014c33f4687051c34559f79f47b939a3ee5ece1ddeb952b6bf74176
ames:82fef70e93172d85cd6a24d555f07188084e3764592ec3cd4bc1c2ca4ac15d3a
WJCNZQLZVWNLKY-UHFFFAOYSA-N
OLNJUISKUQQNIM-UHFFFAOYSA-N
c1ccc2[nH]c(-c3cscn3)nc2c1
O=Cc1c[nH]c2ccccc12
["fixed_mutation","micronucleus_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","in vitro micronucleus assay","L3"]
["fixed_mutation","micronucleus_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","in vitro micronucleus assay","L3"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "biological_test_system=Cricetulus griseus (Chinese hamster); CHO-K1 cells", "canonical_assay_context=in vitro micronucleus assay", "canonical_measurement_scale_id=ames_fixed_mutation_ordinal.v1", "endpoint_class=micronuclear_endpoint", "endpoint_name=micronucleus_assay", "study_context=in_vitro", "unit...
[ "biological_test_system=Mammalia; NIH 3T3; fibroblast", "canonical_assay_context=in vitro micronucleus assay", "canonical_measurement_scale_id=ames_fixed_mutation_ordinal.v1", "endpoint_class=micronuclear_endpoint", "endpoint_name=micronucleus_assay", "study_context=in_vitro", "unit_text=ordinal_outcome...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
0
0
0
0.902296
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["fixed_mutation","micronucleus_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","in vitro micronucleus assay","L3"]
L3
ordinal
{ "calibration_sha256": "9fd24009a1018bfda1612454eaa043e432f41769b65b5c697dce9a6529856eeb", "groups": { "assay_concept": "L3", "measurement_kind": "ordinal", "query_condition_group": "[\"fixed_mutation\",\"micronucleus_assay\",\"ordinal_outcome_class\",\"ames_fixed_mutation_ordinal.v1\",\"in vitro micro...
0
0
0.982014
0.902296
0.982014
0.017986
safety_canonical_v27
1
true
0.177778
-1
-1
-1
indirect_record
["fixed_mutation","micronucleus_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","in vitro micronucleus assay","L3"]
WJCNZQLZVWNLKY-UHFFFAOYSA-N
OLNJUISKUQQNIM-UHFFFAOYSA-N
c1ccc2[nH]c(-c3cscn3)nc2c1
c1ccc2[nH]ccc2c1
{ "aggregation_method": "individual_record", "display_measurement_text": "0", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 0, "aggregate_max": 0, "aggregate_q1": 0, "agg...
{ "aggregation_method": "individual_record", "display_measurement_text": "0", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 0, "aggregate_max": 0, "aggregate_q1": 0, "agg...
1,653
1,605
696
id
train_exact_bucket.v27_safety
identity
{"biological_test_system":"Cricetulus griseus (Chinese hamster); CHO-K1 cells","canonical_assay_context":"in vitro micronucleus assay","canonical_measurement_scale_id":"ames_fixed_mutation_ordinal.v1","confidence":0.8,"dose_or_concentration":null,"dose_unit":null,"endpoint_class":"micronuclear_endpoint","endpoint_name"...
{"biological_test_system":"Mammalia; NIH 3T3; fibroblast","canonical_assay_context":"in vitro micronucleus assay","canonical_measurement_scale_id":"ames_fixed_mutation_ordinal.v1","confidence":0.9,"dose_or_concentration":null,"dose_unit":null,"endpoint_class":"micronuclear_endpoint","endpoint_name":"micronucleus_assay"...
L3
gold_v1
sr_4f29ba2a20924bbd9301f8b8eb420a8e
sr_8c464d010e6841f3bea364ec13996256
["fixed_mutation","micronucleus_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","in vitro micronucleus assay"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>Oc1c(Cl)cc(Cl)cc1Cl</SMILES> - Canonical assay context: Mammalian cell gene mutation, TK locus (L5178Y mouse lymphoma cells) - Canonical measurement scale id: ames_mutagenicity_...
(A)
train
f404065fbf52ede3a0026f38e440e32d6176c68a14ddabc144855ee16007b061
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:bb6521288721e25b25ae7876f4899b4f596aa7fbd05f83842b9985acb2cb0663
ames:77a93619ca36e778408ca7ba73f9db425a81ed3219d50935147264620ebea896
ames:bb6521288721e25b25ae7876f4899b4f596aa7fbd05f83842b9985acb2cb0663
ames:77a93619ca36e778408ca7ba73f9db425a81ed3219d50935147264620ebea896
NLZUEZXRPGMBCV-UHFFFAOYSA-N
LINPIYWFGCPVIE-UHFFFAOYSA-N
Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
Oc1c(Cl)cc(Cl)cc1Cl
["mutagenicity_outcomes","mammalian_cell_gene_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Mammalian cell gene mutation, TK locus (L5178Y mouse lymphoma cells)","L3"]
["mutagenicity_outcomes","mammalian_cell_gene_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Mammalian cell gene mutation, TK locus (L5178Y mouse lymphoma cells)","L3"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=Mammalian cell gene mutation, TK locus (L5178Y mouse lymphoma cells)", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=mammalian_cell_gene_mutation", "evidence_basis=cited_experiment", "experimental_context=in_...
[ "canonical_assay_context=Mammalian cell gene mutation, TK locus (L5178Y mouse lymphoma cells)", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=mammalian_cell_gene_mutation", "evidence_basis=cited_experiment", "experimental_context=in_...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
2
2
0
0.727963
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["mutagenicity_outcomes","mammalian_cell_gene_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Mammalian cell gene mutation, TK locus (L5178Y mouse lymphoma cells)","L3"]
L3
ordinal
{ "calibration_sha256": "9fd24009a1018bfda1612454eaa043e432f41769b65b5c697dce9a6529856eeb", "groups": { "assay_concept": "L3", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"mammalian_cell_gene_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\...
0
0
0.982014
0.727963
0.982014
0.017986
safety_canonical_v27
1
true
0.230769
-1
-1
-1
indirect_record
["mutagenicity_outcomes","mammalian_cell_gene_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Mammalian cell gene mutation, TK locus (L5178Y mouse lymphoma cells)","L3"]
NLZUEZXRPGMBCV-UHFFFAOYSA-N
LINPIYWFGCPVIE-UHFFFAOYSA-N
c1ccccc1
c1ccccc1
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
1,142
1,076
364
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"Mammalian cell gene mutation, TK locus (L5178Y mouse lymphoma cells)","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"mammalian_cell_gene_mutation","evidence_basis":"cited_experiment","experimental_co...
{"canonical_assay_context":"Mammalian cell gene mutation, TK locus (L5178Y mouse lymphoma cells)","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"mammalian_cell_gene_mutation","evidence_basis":"cited_experiment","experimental_co...
L3
gold_v1
sr_80f008008b724be2bb85aa1a89e0585b
sr_3e8615f434cb4726a4a1d276915ffbd8
["mutagenicity_outcomes","mammalian_cell_gene_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Mammalian cell gene mutation, TK locus (L5178Y mouse lymphoma cells)"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>CCc1cccc(CC)c1N(COC)C(=O)CCl</SMILES> - Canonical assay context: plant chromosome aberration assay - Canonical measurement scale id: ames_mutagenicity_ordinal.v1 - Chemical enti...
(A)
train
0284d60081c594c10cbf503c31ef8ee0f74d5b813e9d57323c55d70e8523686b
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:5ab0697063de4da2c6e10bd4156acb0700c7aebe8002eaf7116738cb1e446c5a
ames:57b3249b49bfa0645f20e8d35e86636f02c0cae56739a442f0c07502b35b4ee7
ames:5ab0697063de4da2c6e10bd4156acb0700c7aebe8002eaf7116738cb1e446c5a
ames:57b3249b49bfa0645f20e8d35e86636f02c0cae56739a442f0c07502b35b4ee7
DQLWPEVFXSRNIQ-UHFFFAOYSA-N
XCSGPAVHZFQHGE-UHFFFAOYSA-N
CC(C)N(C(=O)CCl)c1ccccc1Cl
CCc1cccc(CC)c1N(COC)C(=O)CCl
["mutagenicity_outcomes","chromosome_aberration_or_clastogenicity","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","plant chromosome aberration assay","L3"]
["mutagenicity_outcomes","chromosome_aberration_or_clastogenicity","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","plant chromosome aberration assay","L3"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=plant chromosome aberration assay", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=chromosome_aberration_or_clastogenicity", "evidence_basis=review_or_regulatory_synthesis", "experimental_context=not_reported"...
[ "canonical_assay_context=plant chromosome aberration assay", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=chromosome_aberration_or_clastogenicity", "evidence_basis=cited_experiment", "experimental_context=in_vitro", "metabolic_act...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
2
2
0
0.454942
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["mutagenicity_outcomes","chromosome_aberration_or_clastogenicity","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","plant chromosome aberration assay","L3"]
L3
ordinal
{ "calibration_sha256": "9fd24009a1018bfda1612454eaa043e432f41769b65b5c697dce9a6529856eeb", "groups": { "assay_concept": "L3", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"chromosome_aberration_or_clastogenicity\",\"ordinal_outcome_class\",\"ames_mutagenicity_ord...
0
0
0.982014
0.454942
0.982014
0.017986
safety_canonical_v27
1
true
0.319149
-1
-1
-1
indirect_record
["mutagenicity_outcomes","chromosome_aberration_or_clastogenicity","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","plant chromosome aberration assay","L3"]
DQLWPEVFXSRNIQ-UHFFFAOYSA-N
XCSGPAVHZFQHGE-UHFFFAOYSA-N
c1ccccc1
c1ccccc1
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
330
328
151
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"plant chromosome aberration assay","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.8,"endpoint_name":"chromosome_aberration_or_clastogenicity","evidence_basis":"review_or_regulatory_synthesis","experimental_context":"no...
{"canonical_assay_context":"plant chromosome aberration assay","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.75,"endpoint_name":"chromosome_aberration_or_clastogenicity","evidence_basis":"cited_experiment","experimental_context":"in_vitro","extr...
L3
gold_v1
sr_27cb68a6397e4c40a1eba74accc5f2f9
sr_fabdd55da95b46bbb967b91ab189bcc1
["mutagenicity_outcomes","chromosome_aberration_or_clastogenicity","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","plant chromosome aberration assay"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1</SMILES> - Canonical assay context: micronucleus in rat bone marrow immature/polychromatic erythrocytes - Canonical measurement scale id: ames_mut...
(A)
train
13625b0546d1194116f57284179c61dcd058d1af95796883fd7fd87572d6e813
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:015bf332be1645eeb97697c93c615f09972228f20fcd77396da7493317430a63
ames:e04bf5ec0c5d3f5e7d407964cb628ce9daee152ef656a92e576024af50d7a9b4
ames:015bf332be1645eeb97697c93c615f09972228f20fcd77396da7493317430a63
ames:e04bf5ec0c5d3f5e7d407964cb628ce9daee152ef656a92e576024af50d7a9b4
CMSMOCZEIVJLDB-UHFFFAOYSA-N
JCKYGMPEJWAADB-UHFFFAOYSA-N
O=P1(N(CCCl)CCCl)NCCCO1
O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1
["mutagenicity_outcomes","micronucleus","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","micronucleus in rat bone marrow immature/polychromatic erythrocytes","L3"]
["mutagenicity_outcomes","micronucleus","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","micronucleus in rat bone marrow immature/polychromatic erythrocytes","L3"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=micronucleus in rat bone marrow immature/polychromatic erythrocytes", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=micronucleus", "evidence_basis=positive_control_or_reference_use", "experimental_context=in_...
[ "canonical_assay_context=micronucleus in rat bone marrow immature/polychromatic erythrocytes", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=micronucleus", "evidence_basis=current_study_experiment", "experimental_context=in_vivo_nonh...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
2
2
0
0.774615
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["mutagenicity_outcomes","micronucleus","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","micronucleus in rat bone marrow immature/polychromatic erythrocytes","L3"]
L3
ordinal
{ "calibration_sha256": "9fd24009a1018bfda1612454eaa043e432f41769b65b5c697dce9a6529856eeb", "groups": { "assay_concept": "L3", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"micronucleus\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\"micronucleus in...
0
0
0.982014
0.774615
0.982014
0.017986
safety_canonical_v27
1
true
0.16
-1
-1
-1
indirect_record
["mutagenicity_outcomes","micronucleus","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","micronucleus in rat bone marrow immature/polychromatic erythrocytes","L3"]
CMSMOCZEIVJLDB-UHFFFAOYSA-N
JCKYGMPEJWAADB-UHFFFAOYSA-N
O=[PH]1NCCCO1
c1ccccc1
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
416
393
147
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"micronucleus in rat bone marrow immature/polychromatic erythrocytes","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"micronucleus","evidence_basis":"positive_control_or_reference_use","experimental_co...
{"canonical_assay_context":"micronucleus in rat bone marrow immature/polychromatic erythrocytes","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"micronucleus","evidence_basis":"current_study_experiment","experimental_context":"i...
L3
gold_v1
sr_4f02cbad181e4ed5b91c627d5e99cb93
sr_f7c74e54758e45c79efc467dbeaced5d
["mutagenicity_outcomes","micronucleus","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","micronucleus in rat bone marrow immature/polychromatic erythrocytes"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>ClCC1CO1</SMILES> - Canonical assay context: dominant lethal assay - Canonical measurement scale id: ames_mutagenicity_ordinal.v1 - Chemical entity type: defined_chemical - Endp...
(B)
train
f34b819d7106b68d09a11f14fabca38aa9d0a0140c6138812e8f51a6188a3a92
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:657985e3db75ad3d974be2c205d13518f8a97826b019f2aaf10df415b11bd851
ames:a7a5e8406fdde52864ae5cd5c636c4477b117dd7c5806aabfd0aa0addde85b21
ames:657985e3db75ad3d974be2c205d13518f8a97826b019f2aaf10df415b11bd851
ames:a7a5e8406fdde52864ae5cd5c636c4477b117dd7c5806aabfd0aa0addde85b21
CMSMOCZEIVJLDB-UHFFFAOYSA-N
BRLQWZUYTZBJKN-UHFFFAOYSA-N
O=P1(N(CCCl)CCCl)NCCCO1
ClCC1CO1
["mutagenicity_outcomes","germ_cell_or_heritable_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","dominant lethal assay","L3"]
["mutagenicity_outcomes","germ_cell_or_heritable_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","dominant lethal assay","L3"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=dominant lethal assay", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=germ_cell_or_heritable_mutation", "evidence_basis=cited_experiment", "experimental_context=in_vivo_nonhuman", "metabolic_activation=not_...
[ "canonical_assay_context=dominant lethal assay", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=germ_cell_or_heritable_mutation", "evidence_basis=cited_experiment", "experimental_context=in_vivo_nonhuman", "metabolic_activation=not_...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
2
0
2
0.968262
{ "nontransfer": 0.9999999415781751, "transfer": 5.84218249435847e-8 }
["mutagenicity_outcomes","germ_cell_or_heritable_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","dominant lethal assay","L3"]
L3
ordinal
{ "calibration_sha256": "9fd24009a1018bfda1612454eaa043e432f41769b65b5c697dce9a6529856eeb", "groups": { "assay_concept": "L3", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"germ_cell_or_heritable_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\...
2
2.065558
0
0.968262
0
1
safety_canonical_v27
0
true
0.142857
-1
-1
-1
indirect_record
["mutagenicity_outcomes","germ_cell_or_heritable_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","dominant lethal assay","L3"]
CMSMOCZEIVJLDB-UHFFFAOYSA-N
BRLQWZUYTZBJKN-UHFFFAOYSA-N
O=[PH]1NCCCO1
C1CO1
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
{ "aggregation_method": "individual_record", "display_measurement_text": "0", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 0, "aggregate_max": 0, "aggregate_q1": 0, "agg...
772
751
244
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"dominant lethal assay","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.8,"endpoint_name":"germ_cell_or_heritable_mutation","evidence_basis":"cited_experiment","experimental_context":"in_vivo_nonhuman","extra_details":"D...
{"canonical_assay_context":"dominant lethal assay","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.8,"endpoint_name":"germ_cell_or_heritable_mutation","evidence_basis":"cited_experiment","experimental_context":"in_vivo_nonhuman","extra_details":"N...
L3
gold_v1
sr_a7805b3e2ff34fd8a777aaa7ad9f5473
sr_afc040c5b5ba4876a7d84756de4db847
["mutagenicity_outcomes","germ_cell_or_heritable_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","dominant lethal assay"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>O=C(O)c1cc(O)c(O)c(O)c1</SMILES> - Biological test system: animal; bone marrow - Canonical assay context: in vivo micronucleus assay in bone marrow - Canonical measurement scale...
(B)
train
b8f40b4e3b24a83924e4f74c34f04fd84c8fd889abd1af9644c628cfe968ac27
-1
null
-1
null
null
null
ames
fixed_mutation
limited_balanced_parent_morgan_first.v28_safety
ames:30556ea3ed4fbedcf14d975323e3239db09f510b008f128f20fae9a47b6de36b
ames:e9d16caf09ab5cb4851252ab686c2ff7e0693d1c9d31e6b1b0d6ea9ba2bcd017
ames:30556ea3ed4fbedcf14d975323e3239db09f510b008f128f20fae9a47b6de36b
ames:e9d16caf09ab5cb4851252ab686c2ff7e0693d1c9d31e6b1b0d6ea9ba2bcd017
WMBWREPUVVBILR-WIYYLYMNSA-N
LNTHITQWFMADLM-UHFFFAOYSA-N
O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
O=C(O)c1cc(O)c(O)c(O)c1
["fixed_mutation","micronucleus_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","in vivo micronucleus assay in bone marrow","L3"]
["fixed_mutation","micronucleus_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","in vivo micronucleus assay in bone marrow","L3"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "biological_test_system=Mus musculus; bone marrow cells", "canonical_assay_context=in vivo micronucleus assay in bone marrow", "canonical_measurement_scale_id=ames_fixed_mutation_ordinal.v1", "dose_or_concentration=EGCG 25 and 50 mg/kg b.wt.; arsenic 1.5 mg/kg b.wt.", "dose_unit=mg/kg b.wt.", "endpoint_cl...
[ "biological_test_system=animal; bone marrow", "canonical_assay_context=in vivo micronucleus assay in bone marrow", "canonical_measurement_scale_id=ames_fixed_mutation_ordinal.v1", "endpoint_class=micronuclear_endpoint", "endpoint_name=micronucleus_assay", "study_context=in_vivo_experimental", "unit_text...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
0
2
2
0.961439
{ "nontransfer": 0.9999999495435297, "transfer": 5.0456470290419695e-8 }
["fixed_mutation","micronucleus_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","in vivo micronucleus assay in bone marrow","L3"]
L3
ordinal
{ "calibration_sha256": "9fd24009a1018bfda1612454eaa043e432f41769b65b5c697dce9a6529856eeb", "groups": { "assay_concept": "L3", "measurement_kind": "ordinal", "query_condition_group": "[\"fixed_mutation\",\"micronucleus_assay\",\"ordinal_outcome_class\",\"ames_fixed_mutation_ordinal.v1\",\"in vivo micron...
2
2.080215
0
0.961439
0
1
safety_canonical_v27
0
true
0.282609
-1
-1
-1
indirect_record
["fixed_mutation","micronucleus_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","in vivo micronucleus assay in bone marrow","L3"]
WMBWREPUVVBILR-WIYYLYMNSA-N
LNTHITQWFMADLM-UHFFFAOYSA-N
O=C(OC1Cc2ccccc2OC1c1ccccc1)c1ccccc1
c1ccccc1
{ "aggregation_method": "individual_record", "display_measurement_text": "0", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 0, "aggregate_max": 0, "aggregate_q1": 0, "agg...
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
999
978
499
id
train_exact_bucket.v27_safety
identity
{"biological_test_system":"Mus musculus; bone marrow cells","canonical_assay_context":"in vivo micronucleus assay in bone marrow","canonical_measurement_scale_id":"ames_fixed_mutation_ordinal.v1","confidence":0.75,"dose_or_concentration":"EGCG 25 and 50 mg/kg b.wt.; arsenic 1.5 mg/kg b.wt.","dose_unit":"mg/kg b.wt.","e...
{"biological_test_system":"animal; bone marrow","canonical_assay_context":"in vivo micronucleus assay in bone marrow","canonical_measurement_scale_id":"ames_fixed_mutation_ordinal.v1","confidence":0.6,"dose_or_concentration":null,"dose_unit":null,"endpoint_class":"micronuclear_endpoint","endpoint_name":"micronucleus_as...
L3
gold_v1
sr_b6d57f7bcc8c48b08689696790086789
sr_c4e88c91a49747aba4bb65dbed282580
["fixed_mutation","micronucleus_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","in vivo micronucleus assay in bone marrow"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>CCN(N=O)C(N)=O</SMILES> - Biological test system: ; ; ; peripheral blood reticulocytes (CD59-) - Canonical assay context: in vivo micronucleus assay in peripheral blood reticulo...
(B)
train
96f6d0743e1714765ee82b552532ccab5204bb2c6e375488c7db23269ef47ba9
-1
null
-1
null
null
null
ames
fixed_mutation
limited_balanced_parent_morgan_first.v28_safety
ames:5edcc57108fc6eb8d963c60fdfb542010c51649a3e1a59a19f1c0e910e3a75d6
ames:6cf1bc3b547d646e5b962db576a96e3e7350678f424f59135373693071574f43
ames:5edcc57108fc6eb8d963c60fdfb542010c51649a3e1a59a19f1c0e910e3a75d6
ames:6cf1bc3b547d646e5b962db576a96e3e7350678f424f59135373693071574f43
WBNQDOYYEUMPFS-UHFFFAOYSA-N
FUSGACRLAFQQRL-UHFFFAOYSA-N
CCN(CC)N=O
CCN(N=O)C(N)=O
["fixed_mutation","micronucleus_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","in vivo micronucleus assay in peripheral blood reticulocytes","L3"]
["fixed_mutation","micronucleus_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","in vivo micronucleus assay in peripheral blood reticulocytes","L3"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "biological_test_system=Rattus norvegicus; rat; peripheral blood reticulocytes", "canonical_assay_context=in vivo micronucleus assay in peripheral blood reticulocytes", "canonical_measurement_scale_id=ames_fixed_mutation_ordinal.v1", "dose_or_concentration=5", "dose_unit=mg/kg/day", "endpoint_class=micron...
[ "biological_test_system=; ; ; peripheral blood reticulocytes (CD59-)", "canonical_assay_context=in vivo micronucleus assay in peripheral blood reticulocytes", "canonical_measurement_scale_id=ames_fixed_mutation_ordinal.v1", "endpoint_class=micronuclear_endpoint", "endpoint_name=micronucleus_assay", "study...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
0
2
2
0.993672
{ "nontransfer": 0.9999999009223275, "transfer": 9.90776724737308e-8 }
["fixed_mutation","micronucleus_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","in vivo micronucleus assay in peripheral blood reticulocytes","L3"]
L3
ordinal
{ "calibration_sha256": "9fd24009a1018bfda1612454eaa043e432f41769b65b5c697dce9a6529856eeb", "groups": { "assay_concept": "L3", "measurement_kind": "ordinal", "query_condition_group": "[\"fixed_mutation\",\"micronucleus_assay\",\"ordinal_outcome_class\",\"ames_fixed_mutation_ordinal.v1\",\"in vivo micron...
2
2.012736
0
0.993672
0
1
safety_canonical_v27
0
true
0.391304
-1
-1
-1
indirect_record
["fixed_mutation","micronucleus_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","in vivo micronucleus assay in peripheral blood reticulocytes","L3"]
WBNQDOYYEUMPFS-UHFFFAOYSA-N
FUSGACRLAFQQRL-UHFFFAOYSA-N
parent:WBNQDOYYEUMPFS-UHFFFAOYSA-N
parent:FUSGACRLAFQQRL-UHFFFAOYSA-N
{ "aggregation_method": "individual_record", "display_measurement_text": "0", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 0, "aggregate_max": 0, "aggregate_q1": 0, "agg...
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
273
244
126
id
train_exact_bucket.v27_safety
identity
{"biological_test_system":"Rattus norvegicus; rat; peripheral blood reticulocytes","canonical_assay_context":"in vivo micronucleus assay in peripheral blood reticulocytes","canonical_measurement_scale_id":"ames_fixed_mutation_ordinal.v1","confidence":0.85,"dose_or_concentration":"5","dose_unit":"mg/kg/day","endpoint_cl...
{"biological_test_system":"; ; ; peripheral blood reticulocytes (CD59-)","canonical_assay_context":"in vivo micronucleus assay in peripheral blood reticulocytes","canonical_measurement_scale_id":"ames_fixed_mutation_ordinal.v1","confidence":0.75,"dose_or_concentration":null,"dose_unit":null,"endpoint_class":"micronucle...
L3
gold_v1
sr_6b17abb191f14e1fa3a1f7771a180382
sr_94c40d3ff82c4cf3a9ed62d6bf982ac7
["fixed_mutation","micronucleus_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","in vivo micronucleus assay in peripheral blood reticulocytes"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O</SMILES> - Biological test system: Chinese hamster; ovary cells (CHO) - Canonical assay context: chromosome aberration assay in CHO cells (in ...
(B)
train
eb2e5f4a962403c842f0bd9ba6eb57138b1d50cd520248d46b2d0603cc72e699
-1
null
-1
null
null
null
ames
fixed_mutation
limited_balanced_parent_morgan_first.v28_safety
ames:8a3c955575b85a2e0846f02abdf49c045843e1ba747d736f2daa9ec0798ad576
ames:39230455d8b972b186e7bad2fbc79ee6193c9456cd95c6d4c7490a284a5b5b27
ames:8a3c955575b85a2e0846f02abdf49c045843e1ba747d736f2daa9ec0798ad576
ames:39230455d8b972b186e7bad2fbc79ee6193c9456cd95c6d4c7490a284a5b5b27
CMSMOCZEIVJLDB-UHFFFAOYSA-N
JZUFKLXOESDKRF-UHFFFAOYSA-N
O=P1(N(CCCl)CCCl)NCCCO1
NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O
["fixed_mutation","chromosome_aberration_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","chromosome aberration assay in CHO cells (in vitro, without exogenous activation)","L3"]
["fixed_mutation","chromosome_aberration_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","chromosome aberration assay in CHO cells (in vitro, without exogenous activation)","L3"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "biological_test_system=Cricetulus griseus; Chinese hamster ovary (CHO)", "canonical_assay_context=chromosome aberration assay in CHO cells (in vitro, without exogenous activation)", "canonical_measurement_scale_id=ames_fixed_mutation_ordinal.v1", "dose_or_concentration=50-500", "dose_unit=µg/mL", "endpoi...
[ "biological_test_system=Chinese hamster; ovary cells (CHO)", "canonical_assay_context=chromosome aberration assay in CHO cells (in vitro, without exogenous activation)", "canonical_measurement_scale_id=ames_fixed_mutation_ordinal.v1", "dose_or_concentration=2600", "dose_unit=µg/ml", "endpoint_class=struct...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
2
0
2
0.982925
{ "nontransfer": 0.9999999204931221, "transfer": 7.950687781945072e-8 }
["fixed_mutation","chromosome_aberration_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","chromosome aberration assay in CHO cells (in vitro, without exogenous activation)","L3"]
L3
ordinal
{ "calibration_sha256": "9fd24009a1018bfda1612454eaa043e432f41769b65b5c697dce9a6529856eeb", "groups": { "assay_concept": "L3", "measurement_kind": "ordinal", "query_condition_group": "[\"fixed_mutation\",\"chromosome_aberration_assay\",\"ordinal_outcome_class\",\"ames_fixed_mutation_ordinal.v1\",\"chrom...
2
2.034742
0
0.982925
0
1
safety_canonical_v27
0
true
0.089286
-1
-1
-1
indirect_record
["fixed_mutation","chromosome_aberration_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","chromosome aberration assay in CHO cells (in vitro, without exogenous activation)","L3"]
CMSMOCZEIVJLDB-UHFFFAOYSA-N
JZUFKLXOESDKRF-UHFFFAOYSA-N
O=[PH]1NCCCO1
O=S1(=O)NCNc2ccccc21
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
{ "aggregation_method": "individual_record", "display_measurement_text": "0", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 0, "aggregate_max": 0, "aggregate_q1": 0, "agg...
247
245
155
id
train_exact_bucket.v27_safety
identity
{"biological_test_system":"Cricetulus griseus; Chinese hamster ovary (CHO)","canonical_assay_context":"chromosome aberration assay in CHO cells (in vitro, without exogenous activation)","canonical_measurement_scale_id":"ames_fixed_mutation_ordinal.v1","confidence":0.8,"dose_or_concentration":"50-500","dose_unit":"\u00b...
{"biological_test_system":"Chinese hamster; ovary cells (CHO)","canonical_assay_context":"chromosome aberration assay in CHO cells (in vitro, without exogenous activation)","canonical_measurement_scale_id":"ames_fixed_mutation_ordinal.v1","confidence":0.85,"dose_or_concentration":"2600","dose_unit":"\u00b5g/ml","endpoi...
L3
gold_v1
sr_4fe879c8788344f2a094c413d01933a3
sr_27c91ac3e74341bdb0b2477f8548bfb9
["fixed_mutation","chromosome_aberration_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","chromosome aberration assay in CHO cells (in vitro, without exogenous activation)"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1</SMILES> - Canonical assay context: chromosome aberration assay - Canonical measurement scale id: ames_fixed_mutation_ordinal.v1...
(A)
train
d8c0c9a12a68d904ec3894b6fee85742d746cd334f4d3d507368f82bed691fb9
-1
null
-1
null
null
null
ames
fixed_mutation
limited_balanced_parent_morgan_first.v28_safety
ames:0c6ba68c2c43322a576c00fd9f7050e97d51d63adacbb5443c8b6c4d190a08f7
ames:1a3b163ca3d98b39e16ca516fe9b7f12b6dcb14cd624da25edcf7c3bc8bdc2e9
ames:0c6ba68c2c43322a576c00fd9f7050e97d51d63adacbb5443c8b6c4d190a08f7
ames:1a3b163ca3d98b39e16ca516fe9b7f12b6dcb14cd624da25edcf7c3bc8bdc2e9
JPIYZTWMUGTEHX-UHFFFAOYSA-N
VFCNQNZNPKRXIT-UHFFFAOYSA-N
CN(C)c1ccc(C(=N)c2ccc(N(C)C)cc2)cc1
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1
["fixed_mutation","chromosome_aberration_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","chromosome aberration assay","L3"]
["fixed_mutation","chromosome_aberration_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","chromosome aberration assay","L3"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "biological_test_system=plant; root tip cells", "canonical_assay_context=chromosome aberration assay", "canonical_measurement_scale_id=ames_fixed_mutation_ordinal.v1", "endpoint_class=structural_chromosome_change", "endpoint_name=chromosome_aberration_assay", "unit_text=ordinal_outcome_class" ]
[ "canonical_assay_context=chromosome aberration assay", "canonical_measurement_scale_id=ames_fixed_mutation_ordinal.v1", "endpoint_class=structural_chromosome_change", "endpoint_name=chromosome_aberration_assay", "unit_text=ordinal_outcome_class" ]
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
2
2
0
0.839528
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["fixed_mutation","chromosome_aberration_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","chromosome aberration assay","L3"]
L3
ordinal
{ "calibration_sha256": "9fd24009a1018bfda1612454eaa043e432f41769b65b5c697dce9a6529856eeb", "groups": { "assay_concept": "L3", "measurement_kind": "ordinal", "query_condition_group": "[\"fixed_mutation\",\"chromosome_aberration_assay\",\"ordinal_outcome_class\",\"ames_fixed_mutation_ordinal.v1\",\"chrom...
0
0
0.982014
0.839528
0.982014
0.017986
safety_canonical_v27
1
true
0.388889
-1
-1
-1
indirect_record
["fixed_mutation","chromosome_aberration_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","chromosome aberration assay","L3"]
JPIYZTWMUGTEHX-UHFFFAOYSA-N
VFCNQNZNPKRXIT-UHFFFAOYSA-N
N=C(c1ccccc1)c1ccccc1
[N+]=C1C=CC(=C(c2ccccc2)c2ccccc2)C=C1
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
532
519
327
id
train_exact_bucket.v27_safety
identity
{"biological_test_system":"plant; root tip cells","canonical_assay_context":"chromosome aberration assay","canonical_measurement_scale_id":"ames_fixed_mutation_ordinal.v1","confidence":0.5,"dose_or_concentration":null,"dose_unit":null,"endpoint_class":"structural_chromosome_change","endpoint_name":"chromosome_aberratio...
{"biological_test_system":null,"canonical_assay_context":"chromosome aberration assay","canonical_measurement_scale_id":"ames_fixed_mutation_ordinal.v1","confidence":0.35,"dose_or_concentration":null,"dose_unit":null,"endpoint_class":"structural_chromosome_change","endpoint_name":"chromosome_aberration_assay","extra_de...
L3
gold_v1
sr_a6def9d3e7354a038f3796f028efdfe5
sr_eb2a60582ffa4936b7c4d4be8f65467e
["fixed_mutation","chromosome_aberration_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","chromosome aberration assay"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>Oc1ccc(O)cc1</SMILES> - Canonical assay context: chromosome aberration/clastogenicity assay (unspecified) - Canonical measurement scale id: ames_mutagenicity_ordinal.v1 - Chemic...
(A)
train
db4ccf2618e3857c87c63485f599bc11162968079e7365884ef9ff500532420f
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:02b3e616a47363cbcfa5e82715dd7e336c060dbc23794cef0b0daa1fa0e3ee8f
ames:6cf3f5dd0e38c30aabc290e4882158743ff518b7ed39f47c902e935f63059dbb
ames:02b3e616a47363cbcfa5e82715dd7e336c060dbc23794cef0b0daa1fa0e3ee8f
ames:6cf3f5dd0e38c30aabc290e4882158743ff518b7ed39f47c902e935f63059dbb
FJKROLUGYXJWQN-UHFFFAOYSA-N
QIGBRXMKCJKVMJ-UHFFFAOYSA-N
O=C(O)c1ccc(O)cc1
Oc1ccc(O)cc1
["mutagenicity_outcomes","chromosome_aberration_or_clastogenicity","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","chromosome aberration/clastogenicity assay (unspecified)","L3"]
["mutagenicity_outcomes","chromosome_aberration_or_clastogenicity","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","chromosome aberration/clastogenicity assay (unspecified)","L3"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=chromosome aberration/clastogenicity assay (unspecified)", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=chromosome_aberration_or_clastogenicity", "evidence_basis=cited_experiment", "experimental_context=in_v...
[ "canonical_assay_context=chromosome aberration/clastogenicity assay (unspecified)", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=chromosome_aberration_or_clastogenicity", "evidence_basis=cited_experiment", "experimental_context=not_...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
2
2
0
0.584159
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["mutagenicity_outcomes","chromosome_aberration_or_clastogenicity","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","chromosome aberration/clastogenicity assay (unspecified)","L3"]
L3
ordinal
{ "calibration_sha256": "9fd24009a1018bfda1612454eaa043e432f41769b65b5c697dce9a6529856eeb", "groups": { "assay_concept": "L3", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"chromosome_aberration_or_clastogenicity\",\"ordinal_outcome_class\",\"ames_mutagenicity_ord...
0
0
0.982014
0.584159
0.982014
0.017986
safety_canonical_v27
1
true
0.5
-1
-1
-1
indirect_record
["mutagenicity_outcomes","chromosome_aberration_or_clastogenicity","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","chromosome aberration/clastogenicity assay (unspecified)","L3"]
FJKROLUGYXJWQN-UHFFFAOYSA-N
QIGBRXMKCJKVMJ-UHFFFAOYSA-N
c1ccccc1
c1ccccc1
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
1,972
1,881
765
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"chromosome aberration/clastogenicity assay (unspecified)","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.65,"endpoint_name":"chromosome_aberration_or_clastogenicity","evidence_basis":"cited_experiment","experimental_co...
{"canonical_assay_context":"chromosome aberration/clastogenicity assay (unspecified)","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.6,"endpoint_name":"chromosome_aberration_or_clastogenicity","evidence_basis":"cited_experiment","experimental_con...
L3
gold_v1
sr_09c98ac3882a4eb196cf9d13a281a030
sr_1eb8e1eb4af5480387ca605225542c20
["mutagenicity_outcomes","chromosome_aberration_or_clastogenicity","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","chromosome aberration/clastogenicity assay (unspecified)"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>NC(=O)NO</SMILES> - Canonical assay context: other mutation assay - Canonical measurement scale id: ames_mutagenicity_ordinal.v1 - Chemical entity type: defined_chemical - Endpo...
(B)
train
6f24628f8ed07f8fd4607cf07b777d17a768792432e3cea55beec9830b833523
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:849e8edd6a3e037dfb41351fb5cd1f3130cb55d9dccde2a9754740e6c2409615
ames:01ee6e5b81289aec179b0802c36fb91efbe8ee9ca88e2cbf9f3edb6f86fc19ac
ames:849e8edd6a3e037dfb41351fb5cd1f3130cb55d9dccde2a9754740e6c2409615
ames:01ee6e5b81289aec179b0802c36fb91efbe8ee9ca88e2cbf9f3edb6f86fc19ac
ZRKWMRDKSOPRRS-UHFFFAOYSA-N
VSNHCAURESNICA-UHFFFAOYSA-N
CN(N=O)C(N)=O
NC(=O)NO
["mutagenicity_outcomes","other_mutation_assay","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","other mutation assay","L3"]
["mutagenicity_outcomes","other_mutation_assay","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","other mutation assay","L3"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=other mutation assay", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=other_mutation_assay", "evidence_basis=positive_control_or_reference_use", "experimental_context=in_vitro", "metabolic_activation=not_rep...
[ "canonical_assay_context=other mutation assay", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=other_mutation_assay", "evidence_basis=cited_experiment", "experimental_context=not_reported", "metabolic_activation=not_reported", "mo...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
2
0
2
0.719424
{ "nontransfer": 0.9999999999538918, "transfer": 4.610822698381669e-11 }
["mutagenicity_outcomes","other_mutation_assay","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","other mutation assay","L3"]
L3
ordinal
{ "calibration_sha256": "9fd24009a1018bfda1612454eaa043e432f41769b65b5c697dce9a6529856eeb", "groups": { "assay_concept": "L3", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"other_mutation_assay\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\"other m...
2
2.780003
0
0.719424
0
1
safety_canonical_v27
0
true
0.238095
-1
-1
-1
indirect_record
["mutagenicity_outcomes","other_mutation_assay","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","other mutation assay","L3"]
ZRKWMRDKSOPRRS-UHFFFAOYSA-N
VSNHCAURESNICA-UHFFFAOYSA-N
parent:ZRKWMRDKSOPRRS-UHFFFAOYSA-N
parent:VSNHCAURESNICA-UHFFFAOYSA-N
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
{ "aggregation_method": "individual_record", "display_measurement_text": "0", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 0, "aggregate_max": 0, "aggregate_q1": 0, "agg...
216
206
143
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"other mutation assay","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.85,"endpoint_name":"other_mutation_assay","evidence_basis":"positive_control_or_reference_use","experimental_context":"in_vitro","extra_details":"MNU...
{"canonical_assay_context":"other mutation assay","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.55,"endpoint_name":"other_mutation_assay","evidence_basis":"cited_experiment","experimental_context":"not_reported","extra_details":"Negative mutagen...
L3
gold_v1
sr_721454376f2c4fafba8599d6bc78688c
sr_43414e6067e0428aa48f391e456e2bb7
["mutagenicity_outcomes","other_mutation_assay","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","other mutation assay"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>O=C(O)CN(CC(=O)O)CC(=O)O</SMILES> - Canonical assay context: Chromosome aberration (clastogenicity) in cultured mammalian cells - Canonical measurement scale id: ames_mutagenici...
(B)
train
744cb9030a28fd6cc6a9948924d3b65e226e93f5f61ea9eb1e0079ed3c9c4dda
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:dd1cb0b00c03ebfbefe1dc7731e19af625bf32c68ad26a2ccd51baa65bf3adba
ames:def20b147d53878ebeca6eb2f703591512e9144003ee5338d672e5fb9d827a6a
ames:dd1cb0b00c03ebfbefe1dc7731e19af625bf32c68ad26a2ccd51baa65bf3adba
ames:def20b147d53878ebeca6eb2f703591512e9144003ee5338d672e5fb9d827a6a
VSNHCAURESNICA-UHFFFAOYSA-N
MGFYIUFZLHCRTH-UHFFFAOYSA-N
NC(=O)NO
O=C(O)CN(CC(=O)O)CC(=O)O
["mutagenicity_outcomes","chromosome_aberration_or_clastogenicity","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Chromosome aberration (clastogenicity) in cultured mammalian cells","L3"]
["mutagenicity_outcomes","chromosome_aberration_or_clastogenicity","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Chromosome aberration (clastogenicity) in cultured mammalian cells","L3"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=Chromosome aberration (clastogenicity) in cultured mammalian cells", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=chromosome_aberration_or_clastogenicity", "evidence_basis=current_study_experiment", "experim...
[ "canonical_assay_context=Chromosome aberration (clastogenicity) in cultured mammalian cells", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=chromosome_aberration_or_clastogenicity", "evidence_basis=cited_experiment", "experimental_co...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
2
0
2
0.509449
{ "nontransfer": 0.9999999999999996, "transfer": 4.87081933639683e-16 }
["mutagenicity_outcomes","chromosome_aberration_or_clastogenicity","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Chromosome aberration (clastogenicity) in cultured mammalian cells","L3"]
L3
ordinal
{ "calibration_sha256": "9fd24009a1018bfda1612454eaa043e432f41769b65b5c697dce9a6529856eeb", "groups": { "assay_concept": "L3", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"chromosome_aberration_or_clastogenicity\",\"ordinal_outcome_class\",\"ames_mutagenicity_ord...
2
3.92581
0
0.509449
0
1
safety_canonical_v27
0
true
0.157895
-1
-1
-1
indirect_record
["mutagenicity_outcomes","chromosome_aberration_or_clastogenicity","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Chromosome aberration (clastogenicity) in cultured mammalian cells","L3"]
VSNHCAURESNICA-UHFFFAOYSA-N
MGFYIUFZLHCRTH-UHFFFAOYSA-N
parent:VSNHCAURESNICA-UHFFFAOYSA-N
parent:MGFYIUFZLHCRTH-UHFFFAOYSA-N
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
{ "aggregation_method": "individual_record", "display_measurement_text": "0", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 0, "aggregate_max": 0, "aggregate_q1": 0, "agg...
215
204
123
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"Chromosome aberration (clastogenicity) in cultured mammalian cells","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"chromosome_aberration_or_clastogenicity","evidence_basis":"current_study_experiment"...
{"canonical_assay_context":"Chromosome aberration (clastogenicity) in cultured mammalian cells","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.8,"endpoint_name":"chromosome_aberration_or_clastogenicity","evidence_basis":"cited_experiment","experi...
L3
gold_v1
sr_6c31b029b7e44b58989b8297a12fce80
sr_47e7f64ed30c4e15847de044ab233538
["mutagenicity_outcomes","chromosome_aberration_or_clastogenicity","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Chromosome aberration (clastogenicity) in cultured mammalian cells"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>Nc1ccc(-c2ccccc2)cc1</SMILES> - Biological test system: Homo sapiens; human tissues - Canonical assay context: HPRT/HGPRT/XPRT forward mutation - Canonical measurement scale id:...
(B)
train
0119104f7159816effb08e99f1ee7ca4f536864605a9bf0ea87895193637903c
-1
null
-1
null
null
null
ames
fixed_mutation
limited_balanced_parent_morgan_first.v28_safety
ames:4b1f709af7ce139c11242755f0bc15521c331ad1ec475a12d34eb3170a29cd22
ames:bba04c29e0884012c5642fc4d61ad918f51a883e0ab59234b621b171340076f1
ames:4b1f709af7ce139c11242755f0bc15521c331ad1ec475a12d34eb3170a29cd22
ames:bba04c29e0884012c5642fc4d61ad918f51a883e0ab59234b621b171340076f1
OAKJQQAXSVQMHS-UHFFFAOYSA-N
DMVOXQPQNTYEKQ-UHFFFAOYSA-N
NN
Nc1ccc(-c2ccccc2)cc1
["fixed_mutation","hprt_hgprt_xprt_forward_mutation","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","HPRT/HGPRT/XPRT forward mutation","L3"]
["fixed_mutation","hprt_hgprt_xprt_forward_mutation","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","HPRT/HGPRT/XPRT forward mutation","L3"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "biological_test_system=Cricetulus griseus; CHO; UV5 (NER mutant)", "canonical_assay_context=HPRT/HGPRT/XPRT forward mutation", "canonical_measurement_scale_id=ames_fixed_mutation_ordinal.v1", "endpoint_class=sequence_level_gene_change", "endpoint_name=hprt_hgprt_xprt_forward_mutation", "genetic_locus_or_...
[ "biological_test_system=Homo sapiens; human tissues", "canonical_assay_context=HPRT/HGPRT/XPRT forward mutation", "canonical_measurement_scale_id=ames_fixed_mutation_ordinal.v1", "endpoint_class=sequence_level_gene_change", "endpoint_name=hprt_hgprt_xprt_forward_mutation", "genetic_locus_or_chromosome_tar...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
0
2
2
0.983517
{ "nontransfer": 0.9999999195144519, "transfer": 8.048554815606733e-8 }
["fixed_mutation","hprt_hgprt_xprt_forward_mutation","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","HPRT/HGPRT/XPRT forward mutation","L3"]
L3
ordinal
{ "calibration_sha256": "9fd24009a1018bfda1612454eaa043e432f41769b65b5c697dce9a6529856eeb", "groups": { "assay_concept": "L3", "measurement_kind": "ordinal", "query_condition_group": "[\"fixed_mutation\",\"hprt_hgprt_xprt_forward_mutation\",\"ordinal_outcome_class\",\"ames_fixed_mutation_ordinal.v1\",\"...
2
2.033519
0
0.983517
0
1
safety_canonical_v27
0
true
0.0625
-1
-1
-1
indirect_record
["fixed_mutation","hprt_hgprt_xprt_forward_mutation","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","HPRT/HGPRT/XPRT forward mutation","L3"]
OAKJQQAXSVQMHS-UHFFFAOYSA-N
DMVOXQPQNTYEKQ-UHFFFAOYSA-N
parent:OAKJQQAXSVQMHS-UHFFFAOYSA-N
c1ccc(-c2ccccc2)cc1
{ "aggregation_method": "individual_record", "display_measurement_text": "0", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 0, "aggregate_max": 0, "aggregate_q1": 0, "agg...
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
565
529
219
id
train_exact_bucket.v27_safety
identity
{"biological_test_system":"Cricetulus griseus; CHO; UV5 (NER mutant)","canonical_assay_context":"HPRT/HGPRT/XPRT forward mutation","canonical_measurement_scale_id":"ames_fixed_mutation_ordinal.v1","confidence":0.8,"dose_or_concentration":null,"dose_unit":null,"endpoint_class":"sequence_level_gene_change","endpoint_name...
{"biological_test_system":"Homo sapiens; human tissues","canonical_assay_context":"HPRT/HGPRT/XPRT forward mutation","canonical_measurement_scale_id":"ames_fixed_mutation_ordinal.v1","confidence":0.65,"dose_or_concentration":null,"dose_unit":null,"endpoint_class":"sequence_level_gene_change","endpoint_name":"hprt_hgprt...
L3
gold_v1
sr_4513303c48f843798a6ceaef228828cd
sr_a0ab1e335cce4391a3bb5c6d2970078f
["fixed_mutation","hprt_hgprt_xprt_forward_mutation","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","HPRT/HGPRT/XPRT forward mutation"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>C[C@@H](N)Cc1ccccc1</SMILES> - Biological test system: Mus musculus; mouse; bone marrow - Canonical assay context: in vivo micronucleus assay in bone marrow - Canonical measurem...
(A)
train
847b27b23e310c0ec6d466667cd46dd1a68f6a726da8ef5447d5df95054cf99f
-1
null
-1
null
null
null
ames
fixed_mutation
limited_balanced_parent_morgan_first.v28_safety
ames:bb00a1aee3d2dfac39c102a223c9e200b3e3a668623111ae6cb4d180237240cf
ames:0384f32609361c575e78fe29a32a96fa97a4a955d9ba08415412687d45db2375
ames:bb00a1aee3d2dfac39c102a223c9e200b3e3a668623111ae6cb4d180237240cf
ames:0384f32609361c575e78fe29a32a96fa97a4a955d9ba08415412687d45db2375
BCGWQEUPMDMJNV-UHFFFAOYSA-N
KWTSXDURSIMDCE-MRVPVSSYSA-N
CN(C)CCCN1c2ccccc2CCc2ccccc21
C[C@@H](N)Cc1ccccc1
["fixed_mutation","micronucleus_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","in vivo micronucleus assay in bone marrow","L3"]
["fixed_mutation","micronucleus_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","in vivo micronucleus assay in bone marrow","L3"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "biological_test_system=Mus musculus; bone marrow cells", "canonical_assay_context=in vivo micronucleus assay in bone marrow", "canonical_measurement_scale_id=ames_fixed_mutation_ordinal.v1", "endpoint_class=micronuclear_endpoint", "endpoint_name=micronucleus_assay", "study_context=in_vivo_experimental", ...
[ "biological_test_system=Mus musculus; mouse; bone marrow", "canonical_assay_context=in vivo micronucleus assay in bone marrow", "canonical_measurement_scale_id=ames_fixed_mutation_ordinal.v1", "endpoint_class=micronuclear_endpoint", "endpoint_name=micronucleus_assay", "study_context=in_vivo_experimental",...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
2
2
0
0.961439
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["fixed_mutation","micronucleus_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","in vivo micronucleus assay in bone marrow","L3"]
L3
ordinal
{ "calibration_sha256": "9fd24009a1018bfda1612454eaa043e432f41769b65b5c697dce9a6529856eeb", "groups": { "assay_concept": "L3", "measurement_kind": "ordinal", "query_condition_group": "[\"fixed_mutation\",\"micronucleus_assay\",\"ordinal_outcome_class\",\"ames_fixed_mutation_ordinal.v1\",\"in vivo micron...
0
0
0.982014
0.961439
0.982014
0.017986
safety_canonical_v27
1
true
0.170732
-1
-1
-1
indirect_record
["fixed_mutation","micronucleus_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","in vivo micronucleus assay in bone marrow","L3"]
BCGWQEUPMDMJNV-UHFFFAOYSA-N
KWTSXDURSIMDCE-MRVPVSSYSA-N
c1ccc2c(c1)CCc1ccccc1N2
c1ccccc1
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
999
978
499
id
train_exact_bucket.v27_safety
identity
{"biological_test_system":"Mus musculus; bone marrow cells","canonical_assay_context":"in vivo micronucleus assay in bone marrow","canonical_measurement_scale_id":"ames_fixed_mutation_ordinal.v1","confidence":0.6,"dose_or_concentration":null,"dose_unit":null,"endpoint_class":"micronuclear_endpoint","endpoint_name":"mic...
{"biological_test_system":"Mus musculus; mouse; bone marrow","canonical_assay_context":"in vivo micronucleus assay in bone marrow","canonical_measurement_scale_id":"ames_fixed_mutation_ordinal.v1","confidence":0.8,"dose_or_concentration":null,"dose_unit":null,"endpoint_class":"micronuclear_endpoint","endpoint_name":"mi...
L3
gold_v1
sr_1774ede479834dd087147b8e2f9ae342
sr_a5eec25112cc420ca73652f94dfba574
["fixed_mutation","micronucleus_assay","ordinal_outcome_class","ames_fixed_mutation_ordinal.v1","in vivo micronucleus assay in bone marrow"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O</SMILES> - Canonical assay context: germ cell/heritable muta...
(B)
train
2dc5034d8479653682246dc5aff6014a1a22745f4dd2fea3d73c239a254c40c4
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:e511bdd8461ddc4ab9f9af027610cab7b79784fcd9ea9d5a6b2ba9fb20629fc6
ames:4f11c0717648af912872a4f48ab5407ab960c6a948cb1ea7cb887f087c3667fa
ames:e511bdd8461ddc4ab9f9af027610cab7b79784fcd9ea9d5a6b2ba9fb20629fc6
ames:4f11c0717648af912872a4f48ab5407ab960c6a948cb1ea7cb887f087c3667fa
NWIBSHFKIJFRCO-ICJNJQFQSA-N
VJJPUSNTGOMMGY-MRVIYFEKSA-N
CO[C@@]12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
["mutagenicity_outcomes","germ_cell_or_heritable_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","germ cell/heritable mutation in mouse spermatogonial stem cells","L3"]
["mutagenicity_outcomes","germ_cell_or_heritable_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","germ cell/heritable mutation in mouse spermatogonial stem cells","L3"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=germ cell/heritable mutation in mouse spermatogonial stem cells", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=germ_cell_or_heritable_mutation", "evidence_basis=review_or_regulatory_synthesis", "experimental...
[ "canonical_assay_context=germ cell/heritable mutation in mouse spermatogonial stem cells", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=germ_cell_or_heritable_mutation", "evidence_basis=cited_experiment", "experimental_context=in_vi...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
2
0
2
0.865137
{ "nontransfer": 0.999999995019449, "transfer": 4.980550947117091e-9 }
["mutagenicity_outcomes","germ_cell_or_heritable_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","germ cell/heritable mutation in mouse spermatogonial stem cells","L3"]
L3
ordinal
{ "calibration_sha256": "9fd24009a1018bfda1612454eaa043e432f41769b65b5c697dce9a6529856eeb", "groups": { "assay_concept": "L3", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"germ_cell_or_heritable_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\...
2
2.311773
0
0.865137
0
1
safety_canonical_v27
0
true
0.104762
-1
-1
-1
indirect_record
["mutagenicity_outcomes","germ_cell_or_heritable_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","germ cell/heritable mutation in mouse spermatogonial stem cells","L3"]
NWIBSHFKIJFRCO-ICJNJQFQSA-N
VJJPUSNTGOMMGY-MRVIYFEKSA-N
O=C1C=CC(=O)C2=C1CC1C3NC3CN21
O=C1OCC2C(OC3CCC4OCOCC4O3)c3cc4c(cc3C(c3ccccc3)C12)OCO4
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
{ "aggregation_method": "individual_record", "display_measurement_text": "0", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 0, "aggregate_max": 0, "aggregate_q1": 0, "agg...
77
77
19
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"germ cell/heritable mutation in mouse spermatogonial stem cells","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"germ_cell_or_heritable_mutation","evidence_basis":"review_or_regulatory_synthesis","exp...
{"canonical_assay_context":"germ cell/heritable mutation in mouse spermatogonial stem cells","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.85,"endpoint_name":"germ_cell_or_heritable_mutation","evidence_basis":"cited_experiment","experimental_con...
L3
gold_v1
sr_1b135212b99f46a2b83f3a9f8b4496ea
sr_249e87d843c843ddb407cf07c4de076a
["mutagenicity_outcomes","germ_cell_or_heritable_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","germ cell/heritable mutation in mouse spermatogonial stem cells"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O</SMILES> - Canonical assay context: chromosome aberration in human peripheral blood lymphocytes - Canonical measurement scale id: ...
(B)
train
1e2a6a4c493d359f33b90e349d48c26087e486f3615bc4af2f6fc0b78a03cbb7
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:b6c1e4fe2fd8a986b2a71cc3c79590236cc0a9bcb1d21662dcd67659cfe7e4d5
ames:9fcf0b8c7b104c6340abe58d97ec7b9a0e001f8b9b0e8d6dc0c1b4402329544e
ames:b6c1e4fe2fd8a986b2a71cc3c79590236cc0a9bcb1d21662dcd67659cfe7e4d5
ames:9fcf0b8c7b104c6340abe58d97ec7b9a0e001f8b9b0e8d6dc0c1b4402329544e
YKQOSKADJPQZHB-RGYSVOEGSA-N
RWSXRVCMGQZWBV-WDSKDSINSA-N
CCC(C)CCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)C([C@@H](C)O)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O
["mutagenicity_outcomes","chromosome_aberration_or_clastogenicity","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","chromosome aberration in human peripheral blood lymphocytes","L3"]
["mutagenicity_outcomes","chromosome_aberration_or_clastogenicity","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","chromosome aberration in human peripheral blood lymphocytes","L3"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=chromosome aberration in human peripheral blood lymphocytes", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=chromosome_aberration_or_clastogenicity", "evidence_basis=current_study_experiment", "experimental_c...
[ "canonical_assay_context=chromosome aberration in human peripheral blood lymphocytes", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=chromosome_aberration_or_clastogenicity", "evidence_basis=current_study_experiment", "experimental_c...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
2
0
2
0.690835
{ "nontransfer": 0.9999999999854069, "transfer": 1.4593137961383287e-11 }
["mutagenicity_outcomes","chromosome_aberration_or_clastogenicity","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","chromosome aberration in human peripheral blood lymphocytes","L3"]
L3
ordinal
{ "calibration_sha256": "9fd24009a1018bfda1612454eaa043e432f41769b65b5c697dce9a6529856eeb", "groups": { "assay_concept": "L3", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"chromosome_aberration_or_clastogenicity\",\"ordinal_outcome_class\",\"ames_mutagenicity_ord...
2
2.895047
0
0.690835
0
1
safety_canonical_v27
0
true
0.15625
-1
-1
-1
indirect_record
["mutagenicity_outcomes","chromosome_aberration_or_clastogenicity","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","chromosome aberration in human peripheral blood lymphocytes","L3"]
YKQOSKADJPQZHB-RGYSVOEGSA-N
RWSXRVCMGQZWBV-WDSKDSINSA-N
O=C1CCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1
parent:RWSXRVCMGQZWBV-WDSKDSINSA-N
{ "aggregation_method": "individual_record", "display_measurement_text": "2", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "agg...
{ "aggregation_method": "individual_record", "display_measurement_text": "0", "display_unit_text": "ordinal_outcome_class", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 0, "aggregate_max": 0, "aggregate_q1": 0, "agg...
2,593
2,535
640
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"chromosome aberration in human peripheral blood lymphocytes","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"chromosome_aberration_or_clastogenicity","evidence_basis":"current_study_experiment","exper...
{"canonical_assay_context":"chromosome aberration in human peripheral blood lymphocytes","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.8,"endpoint_name":"chromosome_aberration_or_clastogenicity","evidence_basis":"current_study_experiment","exper...
L3
gold_v1
sr_f7074e2eafab48d09fdea2f2457650f1
sr_fec4a8c4b11e47d68f7bd63835645f54
["mutagenicity_outcomes","chromosome_aberration_or_clastogenicity","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","chromosome aberration in human peripheral blood lymphocytes"]
End of preview. Expand in Data Studio

Ames record-level V27 L3

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': 27728, 'validation_ranking': 25165, 'test_ranking': 24706}

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