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string
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string
pair_id
string
ranking_query_id
string
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>O=[N+]([O-])c1c(O)ccc2c1[nH]c1ccccc12</SMILES> - Canonical assay context: Ames test (Salmonella Typhimurium TA98) - Canonical measurement scale id: ames_mutagenicity_ordinal.v1 ...
(B)
train
0128aed5d37b3ebfdf8dbcf619c7ee61bf47fa807c1a37a9af4610a9464bf328
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:d466098bf2c413330b82a1b544c00b8144d36399fc21d78285a5a5e85c09d051
ames:f77be529438d326257ebee4f6663727a5b1b30af144669073e861519d3e8927b
ames:d466098bf2c413330b82a1b544c00b8144d36399fc21d78285a5a5e85c09d051
ames:f77be529438d326257ebee4f6663727a5b1b30af144669073e861519d3e8927b
ZYNHZTIMNJKVLK-UHFFFAOYSA-N
IGIBRGBZTUXOCT-UHFFFAOYSA-N
O=[N+]([O-])c1ccc2[nH]c3ccccc3c2c1
O=[N+]([O-])c1c(O)ccc2c1[nH]c1ccccc12
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Ames test (Salmonella Typhimurium TA98)","L1"]
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Ames test (Salmonella Typhimurium TA98)","L1"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=Ames test (Salmonella Typhimurium TA98)", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=in_vitro", "metabolic_ac...
[ "canonical_assay_context=Ames test (Salmonella Typhimurium TA98)", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=in_vitro", "metabolic_ac...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
2
0
2
1.102822
{ "nontransfer": 0.9999992736942285, "transfer": 7.263057714794473e-7 }
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Ames test (Salmonella Typhimurium TA98)","L1"]
L1
ordinal
{ "calibration_sha256": "6247b4348c45aae52af4abc28a4bc3df331a81fb6e022d4f3e9ceaf6f6844428", "groups": { "assay_concept": "L1", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"bacterial_reverse_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\"A...
2
1.813529
0.000001
1.102822
0.000001
0.999999
safety_canonical_v27
0
true
0.463415
-1
-1
-1
indirect_record
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Ames test (Salmonella Typhimurium TA98)","L1"]
ZYNHZTIMNJKVLK-UHFFFAOYSA-N
IGIBRGBZTUXOCT-UHFFFAOYSA-N
c1ccc2c(c1)[nH]c1ccccc12
c1ccc2c(c1)[nH]c1ccccc12
{ "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...
83
75
74
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"Ames test (Salmonella Typhimurium TA98)","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.85,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental_context":"in_vitro","ext...
{"canonical_assay_context":"Ames test (Salmonella Typhimurium TA98)","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.8,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental_context":"in_vitro","extr...
L1
gold_v1
sr_55c842defb7145e0aff16fd155f6e803
sr_21dbe824159242dfb64afd80fb8a2bc8
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Ames test (Salmonella Typhimurium TA98)"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>C=CC(OCC)OCC</SMILES> - Canonical assay context: bacterial reverse mutation (Ames) in Salmonella Typhimurium TA1535 - Canonical measurement scale id: ames_mutagenicity_ordinal.v...
(A)
train
47907324c9559b33d08254ca491b70492ed5f5850e57418a84f82cb6dbe5e124
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:23d1b6a7d874ce429e04ba9553283bff945ae1af31d58582e99d22738f599cde
ames:054db30d34840e62709cddc309bc53dfe89ebf83fedc8635a47725dcbc7fc68c
ames:23d1b6a7d874ce429e04ba9553283bff945ae1af31d58582e99d22738f599cde
ames:054db30d34840e62709cddc309bc53dfe89ebf83fedc8635a47725dcbc7fc68c
NLHHRLWOUZZQLW-UHFFFAOYSA-N
MCIPQLOKVXSHTD-UHFFFAOYSA-N
C=CC#N
C=CC(OCC)OCC
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA1535","L1"]
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA1535","L1"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=bacterial reverse mutation (Ames) in Salmonella Typhimurium TA1535", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context...
[ "canonical_assay_context=bacterial reverse mutation (Ames) in Salmonella Typhimurium TA1535", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
0
0
0
1.129189
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA1535","L1"]
L1
ordinal
{ "calibration_sha256": "6247b4348c45aae52af4abc28a4bc3df331a81fb6e022d4f3e9ceaf6f6844428", "groups": { "assay_concept": "L1", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"bacterial_reverse_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\"b...
0
0
0.982014
1.129189
0.982014
0.017986
safety_canonical_v27
1
true
0.136364
-1
-1
-1
indirect_record
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA1535","L1"]
NLHHRLWOUZZQLW-UHFFFAOYSA-N
MCIPQLOKVXSHTD-UHFFFAOYSA-N
parent:NLHHRLWOUZZQLW-UHFFFAOYSA-N
parent:MCIPQLOKVXSHTD-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": "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...
84
82
73
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"bacterial reverse mutation (Ames) in Salmonella Typhimurium TA1535","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimenta...
{"canonical_assay_context":"bacterial reverse mutation (Ames) in Salmonella Typhimurium TA1535","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimenta...
L1
gold_v1
sr_5cfcaa0dbf03409c89055dc91f8864ae
sr_69f9dfe48c27497dafc95fac1b8e0bc6
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA1535"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12</SMILES> - Canonical assay context: bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100 - Canonical measurement scale id: ames...
(B)
train
d00e24086d198e0d5c54dd077cb3a3db0a4d9076d0777cc8421157425712ad73
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:39efc954f75958e4ff1277ec26e8c82edb49e639b8e165e62c3d6a8f6297af7d
ames:19954415b131a3703116e6ae6080a56539e61496f304711b71dd46ca237d2f7f
ames:39efc954f75958e4ff1277ec26e8c82edb49e639b8e165e62c3d6a8f6297af7d
ames:19954415b131a3703116e6ae6080a56539e61496f304711b71dd46ca237d2f7f
KIVUHCNVDWYUNP-UHFFFAOYSA-N
LHRCREOYAASXPZ-UHFFFAOYSA-N
Nc1cc2c3ccccc3ccc2c2ccccc12
c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","L1"]
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","L1"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=...
[ "canonical_assay_context=bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
2
0
2
0.916948
{ "nontransfer": 0.99999998161063, "transfer": 1.8389369974017237e-8 }
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","L1"]
L1
ordinal
{ "calibration_sha256": "6247b4348c45aae52af4abc28a4bc3df331a81fb6e022d4f3e9ceaf6f6844428", "groups": { "assay_concept": "L1", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"bacterial_reverse_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\"b...
2
2.181149
0
0.916948
0
1
safety_canonical_v27
0
true
0.52
-1
-1
-1
indirect_record
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","L1"]
KIVUHCNVDWYUNP-UHFFFAOYSA-N
LHRCREOYAASXPZ-UHFFFAOYSA-N
c1ccc2c(c1)ccc1c3ccccc3ccc21
c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12
{ "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...
257
239
201
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental...
{"canonical_assay_context":"bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.8,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental...
L1
gold_v1
sr_7b9ae0d477394c6a96818b95ad474a6a
sr_12f97442e3f74d7289b2b9715287df11
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>ClC(Cl)Cl</SMILES> - Canonical assay context: bacterial reverse mutation (Ames) in Salmonella Typhimurium TA1535 - Canonical measurement scale id: ames_mutagenicity_ordinal.v1 -...
(B)
train
792f6fb89f520f725fe402ab78946646b6098ebb520fe220045950feeb5cae54
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:86a2128456c32114c9d5475eed30cf049db76ddbae56152fa7903fc0bf5d8f16
ames:583520f47ea7285cbdec47324179dad0278cc6606e390f1c433c8789cd437764
ames:86a2128456c32114c9d5475eed30cf049db76ddbae56152fa7903fc0bf5d8f16
ames:583520f47ea7285cbdec47324179dad0278cc6606e390f1c433c8789cd437764
VOPWNXZWBYDODV-UHFFFAOYSA-N
HEDRZPFGACZZDS-UHFFFAOYSA-N
FC(F)Cl
ClC(Cl)Cl
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA1535","L1"]
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA1535","L1"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=bacterial reverse mutation (Ames) in Salmonella Typhimurium TA1535", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context...
[ "canonical_assay_context=bacterial reverse mutation (Ames) in Salmonella Typhimurium TA1535", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
2
0
2
1.129189
{ "nontransfer": 0.9999988907519922, "transfer": 0.000001109248007819857 }
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA1535","L1"]
L1
ordinal
{ "calibration_sha256": "6247b4348c45aae52af4abc28a4bc3df331a81fb6e022d4f3e9ceaf6f6844428", "groups": { "assay_concept": "L1", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"bacterial_reverse_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\"b...
2
1.771183
0.000001
1.129189
0.000001
0.999999
safety_canonical_v27
0
true
0.428571
-1
-1
-1
indirect_record
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA1535","L1"]
VOPWNXZWBYDODV-UHFFFAOYSA-N
HEDRZPFGACZZDS-UHFFFAOYSA-N
parent:VOPWNXZWBYDODV-UHFFFAOYSA-N
parent:HEDRZPFGACZZDS-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...
84
82
73
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"bacterial reverse mutation (Ames) in Salmonella Typhimurium TA1535","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimenta...
{"canonical_assay_context":"bacterial reverse mutation (Ames) in Salmonella Typhimurium TA1535","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimenta...
L1
gold_v1
sr_f28db8ba80704b9e98a62e9644defa7e
sr_c6dca3c0dde24e4780aa6fe26eb7f488
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA1535"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12</SMILES> - Canonical assay context: bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100 - Canonical measurement scale id: ames...
(A)
train
e1d1a2a91b3245a9e781feb8855cc636467c8ea24adb61380d72526a25c2993e
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:79bf7f8d9486899504dbc3885db7177a467c0b7e2c584f7759f95cc85a1cff55
ames:19954415b131a3703116e6ae6080a56539e61496f304711b71dd46ca237d2f7f
ames:79bf7f8d9486899504dbc3885db7177a467c0b7e2c584f7759f95cc85a1cff55
ames:19954415b131a3703116e6ae6080a56539e61496f304711b71dd46ca237d2f7f
DXBHBZVCASKNBY-UHFFFAOYSA-N
LHRCREOYAASXPZ-UHFFFAOYSA-N
c1ccc2cc3c(ccc4ccccc43)cc2c1
c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","L1"]
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","L1"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=...
[ "canonical_assay_context=bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
0
0
0
0.916948
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","L1"]
L1
ordinal
{ "calibration_sha256": "6247b4348c45aae52af4abc28a4bc3df331a81fb6e022d4f3e9ceaf6f6844428", "groups": { "assay_concept": "L1", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"bacterial_reverse_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\"b...
0
0
0.982014
0.916948
0.982014
0.017986
safety_canonical_v27
1
true
0.888889
-1
-1
-1
indirect_record
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","L1"]
DXBHBZVCASKNBY-UHFFFAOYSA-N
LHRCREOYAASXPZ-UHFFFAOYSA-N
c1ccc2cc3c(ccc4ccccc43)cc2c1
c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12
{ "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...
257
239
201
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental...
{"canonical_assay_context":"bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.8,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental...
L1
gold_v1
sr_4ff15f1e1d8348a09d3b0e3a840d820a
sr_12f97442e3f74d7289b2b9715287df11
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]</SMILES> - Canonical assay context: bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98 - Canonical measurement scale id: ames_m...
(B)
train
045303bd70afc728304dacfa9480b07dbe40f2697f7c37171af434f259d73bd5
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:3a40246937b3d5c5235951ca60164dfa75bacf654370fe2c1e99f472a113fd03
ames:6f185556560b53b649ae56ccffae1b639518aeefbcecf6d12d95ffc3172628bc
ames:3a40246937b3d5c5235951ca60164dfa75bacf654370fe2c1e99f472a113fd03
ames:6f185556560b53b649ae56ccffae1b639518aeefbcecf6d12d95ffc3172628bc
TYMLOMAKGOJONV-UHFFFAOYSA-N
RMBFBMJGBANMMK-UHFFFAOYSA-N
Nc1ccc([N+](=O)[O-])cc1
Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","L1"]
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","L1"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=i...
[ "canonical_assay_context=bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=i...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
2
0
2
1.065728
{ "nontransfer": 0.9999996136457107, "transfer": 3.8635428939011824e-7 }
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","L1"]
L1
ordinal
{ "calibration_sha256": "6247b4348c45aae52af4abc28a4bc3df331a81fb6e022d4f3e9ceaf6f6844428", "groups": { "assay_concept": "L1", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"bacterial_reverse_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\"b...
2
1.876651
0
1.065728
0
1
safety_canonical_v27
0
true
0.413793
-1
-1
-1
indirect_record
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","L1"]
TYMLOMAKGOJONV-UHFFFAOYSA-N
RMBFBMJGBANMMK-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": "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...
209
167
153
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental_...
{"canonical_assay_context":"bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental_...
L1
gold_v1
sr_eb1d174bbb9a46e19f9ed006e689a63c
sr_0ea217af1ce04310b6defb61e94bfbc0
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>Nc1ccc(N)c(N)c1</SMILES> - Canonical assay context: Ames test (Salmonella Typhimurium TA98) - Canonical measurement scale id: ames_mutagenicity_ordinal.v1 - Chemical entity type...
(A)
train
97f4056870691b64fb1189cde1761cbe0ef32593ce75df14a3b2dc6309180bfa
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:3708e5892f1e3be0866ce624206deaf1bf7e7c503996ee79c30eb5ea46897c77
ames:28e307fb51bd9bf9a57a968d7a059e4941e2208b1b878fac90389f037d7d794f
ames:3708e5892f1e3be0866ce624206deaf1bf7e7c503996ee79c30eb5ea46897c77
ames:28e307fb51bd9bf9a57a968d7a059e4941e2208b1b878fac90389f037d7d794f
CBCKQZAAMUWICA-UHFFFAOYSA-N
JSYBAZQQYCNZJE-UHFFFAOYSA-N
Nc1ccc(N)cc1
Nc1ccc(N)c(N)c1
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Ames test (Salmonella Typhimurium TA98)","L1"]
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Ames test (Salmonella Typhimurium TA98)","L1"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=Ames test (Salmonella Typhimurium TA98)", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=in_vitro", "metabolic_ac...
[ "canonical_assay_context=Ames test (Salmonella Typhimurium TA98)", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=in_vitro", "metabolic_ac...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
2
2
0
1.102822
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Ames test (Salmonella Typhimurium TA98)","L1"]
L1
ordinal
{ "calibration_sha256": "6247b4348c45aae52af4abc28a4bc3df331a81fb6e022d4f3e9ceaf6f6844428", "groups": { "assay_concept": "L1", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"bacterial_reverse_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\"A...
0
0
0.982014
1.102822
0.982014
0.017986
safety_canonical_v27
1
true
0.466667
-1
-1
-1
indirect_record
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Ames test (Salmonella Typhimurium TA98)","L1"]
CBCKQZAAMUWICA-UHFFFAOYSA-N
JSYBAZQQYCNZJE-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...
83
75
74
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"Ames test (Salmonella Typhimurium TA98)","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental_context":"in_vitro","extr...
{"canonical_assay_context":"Ames test (Salmonella Typhimurium TA98)","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.85,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental_context":"in_vitro","ext...
L1
gold_v1
sr_1c6e3698caf744929ff1508a1ee74e8d
sr_d18e9ac9dcf343e5bb70df1f409706f1
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Ames test (Salmonella Typhimurium TA98)"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>Cc1cc2ccccc2c2cc([N+](=O)[O-])c3ccccc3c12</SMILES> - Canonical assay context: bacterial reverse mutation (Salmonella Typhimurium TA98/TA100) - Canonical measurement scale id: am...
(B)
train
2d668ad343ecebeb76dd3c942069d80789d844ba1204277a5b630e335a512c13
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:2f9567f256faa935aabab129927673c3bd188e1025cbeca0437ca612b77aa365
ames:685dd419d50eff201bdb437f385a3db092c557c46f5f2e215dcb6fc11a0d165a
ames:2f9567f256faa935aabab129927673c3bd188e1025cbeca0437ca612b77aa365
ames:685dd419d50eff201bdb437f385a3db092c557c46f5f2e215dcb6fc11a0d165a
GOHBXWHNJHENRX-UHFFFAOYSA-N
OMBRRTHRPGDGPK-UHFFFAOYSA-N
Cc1cc2ccccc2c2ccc3ccccc3c12
Cc1cc2ccccc2c2cc([N+](=O)[O-])c3ccccc3c12
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Salmonella Typhimurium TA98/TA100)","L1"]
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Salmonella Typhimurium TA98/TA100)","L1"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=bacterial reverse mutation (Salmonella Typhimurium TA98/TA100)", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=in_...
[ "canonical_assay_context=bacterial reverse mutation (Salmonella Typhimurium TA98/TA100)", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=in_...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
0
2
2
1.103301
{ "nontransfer": 0.999999267954324, "transfer": 7.320456759839014e-7 }
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Salmonella Typhimurium TA98/TA100)","L1"]
L1
ordinal
{ "calibration_sha256": "6247b4348c45aae52af4abc28a4bc3df331a81fb6e022d4f3e9ceaf6f6844428", "groups": { "assay_concept": "L1", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"bacterial_reverse_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\"b...
2
1.812742
0.000001
1.103301
0.000001
0.999999
safety_canonical_v27
0
true
0.571429
-1
-1
-1
indirect_record
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Salmonella Typhimurium TA98/TA100)","L1"]
GOHBXWHNJHENRX-UHFFFAOYSA-N
OMBRRTHRPGDGPK-UHFFFAOYSA-N
c1ccc2c(c1)ccc1c3ccccc3ccc21
c1ccc2c(c1)ccc1c3ccccc3ccc21
{ "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...
126
100
92
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"bacterial reverse mutation (Salmonella Typhimurium TA98/TA100)","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental_co...
{"canonical_assay_context":"bacterial reverse mutation (Salmonella Typhimurium TA98/TA100)","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.93,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental_c...
L1
gold_v1
sr_cdb8a98398084dc4a92fbf52ff77833e
sr_8393dfe37ab34312bd6af333d84a91cb
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Salmonella Typhimurium TA98/TA100)"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>O=[N+]([O-])c1ccc(Sc2ccccc2)cc1</SMILES> - Canonical assay context: Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98 - Canonical measurement scale id: ames_mutag...
(A)
train
50222b3d5ba66d2d614172e3344e9d2e6448fff2ae5d3b4148ef8f840769b548
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:8ab5cffdfe1de4dfb74c7e1e1245778da4e627a39c6cc144ab0a624e3937ec9b
ames:99e0cb706823dbd1547fa990e5935161756f40d67c9cb2c7794dcc2945233069
ames:8ab5cffdfe1de4dfb74c7e1e1245778da4e627a39c6cc144ab0a624e3937ec9b
ames:99e0cb706823dbd1547fa990e5935161756f40d67c9cb2c7794dcc2945233069
RQCGYFGYSRBVDU-UHFFFAOYSA-N
RJCBYBQJVXVVKB-UHFFFAOYSA-N
CC(=O)ON(C(C)=O)c1ccc(Sc2ccccc2)cc1
O=[N+]([O-])c1ccc(Sc2ccccc2)cc1
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","L1"]
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","L1"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=i...
[ "canonical_assay_context=Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=i...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
2
2
0
0.782226
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","L1"]
L1
ordinal
{ "calibration_sha256": "6247b4348c45aae52af4abc28a4bc3df331a81fb6e022d4f3e9ceaf6f6844428", "groups": { "assay_concept": "L1", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"bacterial_reverse_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\"B...
0
0
0.982014
0.782226
0.982014
0.017986
safety_canonical_v27
1
true
0.35
-1
-1
-1
indirect_record
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","L1"]
RQCGYFGYSRBVDU-UHFFFAOYSA-N
RJCBYBQJVXVVKB-UHFFFAOYSA-N
c1ccc(Sc2ccccc2)cc1
c1ccc(Sc2ccccc2)cc1
{ "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...
379
263
166
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.7,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental_...
{"canonical_assay_context":"Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental_...
L1
gold_v1
sr_fd3025e6f1314ec3ac00154adc1ec148
sr_dc60167fa035449487301838cf6166e2
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>COc1ccc2cc([C@H](C)C(=O)O)ccc2c1</SMILES> - Canonical assay context: Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98 - Canonical measurement scale id: ames_muta...
(A)
train
c78547eeab7ffd428c236d0578f1cfb9b433cb113a82e6c8d40e2b30dae358da
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:1b79526690ad129a5dcb73d9cdf9ae641ab2b1bd5628025abd7f75682919d75a
ames:b50da77df619d10886f781ef6cdd234c58fb081065da53acbb361da42125c963
ames:1b79526690ad129a5dcb73d9cdf9ae641ab2b1bd5628025abd7f75682919d75a
ames:b50da77df619d10886f781ef6cdd234c58fb081065da53acbb361da42125c963
APKHJGDGWQDBGM-UHFFFAOYSA-N
CMWTZPSULFXXJA-VIFPVBQESA-N
COc1cc2nc(N3CCNCC3)nc(N)c2cc1OC
COc1ccc2cc([C@H](C)C(=O)O)ccc2c1
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","L1"]
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","L1"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=i...
[ "canonical_assay_context=Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=i...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
0
0
0
0.782226
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","L1"]
L1
ordinal
{ "calibration_sha256": "6247b4348c45aae52af4abc28a4bc3df331a81fb6e022d4f3e9ceaf6f6844428", "groups": { "assay_concept": "L1", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"bacterial_reverse_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\"B...
0
0
0.982014
0.782226
0.982014
0.017986
safety_canonical_v27
1
true
0.137931
-1
-1
-1
indirect_record
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","L1"]
APKHJGDGWQDBGM-UHFFFAOYSA-N
CMWTZPSULFXXJA-VIFPVBQESA-N
c1ccc2nc(N3CCNCC3)ncc2c1
c1ccc2ccccc2c1
{ "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...
379
263
166
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental_...
{"canonical_assay_context":"Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.85,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental...
L1
gold_v1
sr_300c39f1b6a74b0ba0e277cddc150b87
sr_c41d2aa0ebc04787b7e158d633ad8c49
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1</SMILES> - Canonical assay context: Ames test (Salmonella Typhimurium TA98) - Canonical measurement scale...
(A)
train
179d31bac28f5e23c9dbf08f75b3a9e7ad81f49b7f772398740c2a39d8f6157c
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:9397e716cce1bedba7f9b1634feca06a6e805efc852d91f3d3cec4866e2c0a36
ames:af435ab7645f9e7c220895f55e745ce29b87ad160487d5cefe0aa17cf2deed50
ames:9397e716cce1bedba7f9b1634feca06a6e805efc852d91f3d3cec4866e2c0a36
ames:af435ab7645f9e7c220895f55e745ce29b87ad160487d5cefe0aa17cf2deed50
GVBHRNIWBGTNQA-UHFFFAOYSA-N
UDJCKALRMXKDIT-UHFFFAOYSA-N
COc1cc([N+](=O)[O-])ccc1N
O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Ames test (Salmonella Typhimurium TA98)","L1"]
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Ames test (Salmonella Typhimurium TA98)","L1"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=Ames test (Salmonella Typhimurium TA98)", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=in_vitro", "metabolic_ac...
[ "canonical_assay_context=Ames test (Salmonella Typhimurium TA98)", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=in_vitro", "metabolic_ac...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
2
2
0
1.102822
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Ames test (Salmonella Typhimurium TA98)","L1"]
L1
ordinal
{ "calibration_sha256": "6247b4348c45aae52af4abc28a4bc3df331a81fb6e022d4f3e9ceaf6f6844428", "groups": { "assay_concept": "L1", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"bacterial_reverse_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\"A...
0
0
0.982014
1.102822
0.982014
0.017986
safety_canonical_v27
1
true
0.424242
-1
-1
-1
indirect_record
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Ames test (Salmonella Typhimurium TA98)","L1"]
GVBHRNIWBGTNQA-UHFFFAOYSA-N
UDJCKALRMXKDIT-UHFFFAOYSA-N
c1ccccc1
c1ccc(-c2ccccc2)cc1
{ "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...
83
75
74
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"Ames test (Salmonella Typhimurium TA98)","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental_context":"in_vitro","extr...
{"canonical_assay_context":"Ames test (Salmonella Typhimurium TA98)","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.55,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental_context":"in_vitro","ext...
L1
gold_v1
sr_4db60f560ca44c4fbc64f835e5f10518
sr_08cba0770141412498c315edf6cb4e86
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Ames test (Salmonella Typhimurium TA98)"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>CC(=O)Nc1ccc(-c2ccc(N)cc2)cc1</SMILES> - Canonical assay context: Bacterial reverse mutation (Ames) in Salmonella; strains: TA98, TA100 - Canonical measurement scale id: ames_mu...
(B)
train
e3e078d79d962dc3571cad1952f6d24939776b47285f7c1719c24d128606485d
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:99b22f64fcd617306556f07d043289c894a8c3a0540940729f14b3dd3eda2576
ames:01582fc48df08ac7025571360f6e2f2b0091df3e44a211cb065ad0f3a1337a57
ames:99b22f64fcd617306556f07d043289c894a8c3a0540940729f14b3dd3eda2576
ames:01582fc48df08ac7025571360f6e2f2b0091df3e44a211cb065ad0f3a1337a57
HFACYLZERDEVSX-UHFFFAOYSA-N
DZQXBXZZSKPMDV-UHFFFAOYSA-N
Nc1ccc(-c2ccc(N)cc2)cc1
CC(=O)Nc1ccc(-c2ccc(N)cc2)cc1
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella; strains: TA98, TA100","L1"]
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella; strains: TA98, TA100","L1"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=Bacterial reverse mutation (Ames) in Salmonella; strains: TA98, TA100", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_cont...
[ "canonical_assay_context=Bacterial reverse mutation (Ames) in Salmonella; strains: TA98, TA100", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_cont...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
2
3
1
0.606092
{ "nontransfer": 0.9999962702224251, "transfer": 0.0000037297775749374376 }
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella; strains: TA98, TA100","L1"]
L1
ordinal
{ "calibration_sha256": "6247b4348c45aae52af4abc28a4bc3df331a81fb6e022d4f3e9ceaf6f6844428", "groups": { "assay_concept": "L1", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"bacterial_reverse_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\"B...
1
1.649916
0.000004
0.606092
0.000004
0.999996
safety_canonical_v27
0
true
0.458333
-1
-1
-1
indirect_record
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella; strains: TA98, TA100","L1"]
HFACYLZERDEVSX-UHFFFAOYSA-N
DZQXBXZZSKPMDV-UHFFFAOYSA-N
c1ccc(-c2ccccc2)cc1
c1ccc(-c2ccccc2)cc1
{ "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...
128
98
85
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"Bacterial reverse mutation (Ames) in Salmonella; strains: TA98, TA100","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.95,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experim...
{"canonical_assay_context":"Bacterial reverse mutation (Ames) in Salmonella; strains: TA98, TA100","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.97,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experim...
L1
gold_v1
sr_1a88e68467f84b2b97f15db25c8861cc
sr_f9b17b29c49746b3a6f54692e8f6c521
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella; strains: TA98, TA100"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1</SMILES> - Canonical assay context: bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100 - Canonical measurement scale id: ames_m...
(A)
train
e79a475902f4f1911514b63fd255b2c80c77686ce9cc690c5edcea5bb4cdf486
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:bcbb537e91507f40e5e573b954cb6444aefc8942558fa35f5096146b700f541b
ames:e072f65a0eca18d8273bf15659b238f6cb148f88f2101346bd2942e973075d1d
ames:bcbb537e91507f40e5e573b954cb6444aefc8942558fa35f5096146b700f541b
ames:e072f65a0eca18d8273bf15659b238f6cb148f88f2101346bd2942e973075d1d
SVMGVZLUIWGYPH-UHFFFAOYSA-N
ZBPKGHOGUVVDLF-UHFFFAOYSA-N
O=[N+]([O-])c1ccc(Oc2ccc(N=C=S)cc2)cc1
Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","L1"]
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","L1"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=...
[ "canonical_assay_context=bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
2
2
0
0.916948
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","L1"]
L1
ordinal
{ "calibration_sha256": "6247b4348c45aae52af4abc28a4bc3df331a81fb6e022d4f3e9ceaf6f6844428", "groups": { "assay_concept": "L1", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"bacterial_reverse_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\"b...
0
0
0.982014
0.916948
0.982014
0.017986
safety_canonical_v27
1
true
0.325
-1
-1
-1
indirect_record
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","L1"]
SVMGVZLUIWGYPH-UHFFFAOYSA-N
ZBPKGHOGUVVDLF-UHFFFAOYSA-N
c1ccc(Oc2ccccc2)cc1
c1ccc(Sc2ccccc2)cc1
{ "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...
257
239
201
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.95,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimenta...
{"canonical_assay_context":"bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental...
L1
gold_v1
sr_c6a72d8788594e1ea88a493300f887d8
sr_b2e9627271334ba59678fdbb6b45f0fd
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>O=P(O)(OCC(Br)CBr)OCC(Br)CBr</SMILES> - Canonical assay context: bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100/TA1535 - Canonical measurement scale id: ames_...
(A)
train
9d5dc44a4afdd49af51151918fe242baef8e7d0f1d895cc5dcad4e0873b8b75c
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:ea9751617afcffb99e7f24770892d6b0ea9c9e9a395b8e678b25a32beef9b847
ames:3ce2d7a4034f46d09e088782bc17b53125333edbc2b920805ae0c9b910c15581
ames:ea9751617afcffb99e7f24770892d6b0ea9c9e9a395b8e678b25a32beef9b847
ames:3ce2d7a4034f46d09e088782bc17b53125333edbc2b920805ae0c9b910c15581
XRJXLCKWXSOIAF-UHFFFAOYSA-N
CBPKIOGAUWKEFT-UHFFFAOYSA-N
Nc1nc(N)nc(N(CC(Br)CBr)CC(Br)CBr)n1
O=P(O)(OCC(Br)CBr)OCC(Br)CBr
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100/TA1535","L1"]
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100/TA1535","L1"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100/TA1535", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_c...
[ "canonical_assay_context=bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100/TA1535", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_c...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
2
2
0
0.981105
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100/TA1535","L1"]
L1
ordinal
{ "calibration_sha256": "6247b4348c45aae52af4abc28a4bc3df331a81fb6e022d4f3e9ceaf6f6844428", "groups": { "assay_concept": "L1", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"bacterial_reverse_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\"b...
0
0
0.982014
0.981105
0.982014
0.017986
safety_canonical_v27
1
true
0.210526
-1
-1
-1
indirect_record
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100/TA1535","L1"]
XRJXLCKWXSOIAF-UHFFFAOYSA-N
CBPKIOGAUWKEFT-UHFFFAOYSA-N
c1ncncn1
parent:CBPKIOGAUWKEFT-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": "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...
35
34
33
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100/TA1535","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","exper...
{"canonical_assay_context":"bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100/TA1535","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.8,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","exper...
L1
gold_v1
sr_25a248d83eb74cf3862e72a1f67cf8b7
sr_9896eacde3ee41c382242499a1d42626
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100/TA1535"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>Cc1ccc(N)c(C)c1</SMILES> - Canonical assay context: bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100 - Canonical measurement scale id: ames_mutagenicity_ordinal...
(B)
train
23eba09ecf79f08632a564bef69e64a56f33a414236114ae70ec143fc139e4d9
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:35331c0dec5b6e506af70635b2eb2a9e2f0782e553e15e878ed2a8361dc3bc6c
ames:5e674ac564f9bf52b7a92bb83948c8e6639ed594ae140ead621927bbc86b9175
ames:35331c0dec5b6e506af70635b2eb2a9e2f0782e553e15e878ed2a8361dc3bc6c
ames:5e674ac564f9bf52b7a92bb83948c8e6639ed594ae140ead621927bbc86b9175
BQOFWKZOCNGFEC-UHFFFAOYSA-N
CZZZABOKJQXEBO-UHFFFAOYSA-N
CC1=CCC2C(C1)C2(C)C
Cc1ccc(N)c(C)c1
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","L1"]
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","L1"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=...
[ "canonical_assay_context=bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
2
0
2
0.916948
{ "nontransfer": 0.99999998161063, "transfer": 1.8389369974017237e-8 }
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","L1"]
L1
ordinal
{ "calibration_sha256": "6247b4348c45aae52af4abc28a4bc3df331a81fb6e022d4f3e9ceaf6f6844428", "groups": { "assay_concept": "L1", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"bacterial_reverse_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\"b...
2
2.181149
0
0.916948
0
1
safety_canonical_v27
0
true
0.151515
-1
-1
-1
indirect_record
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","L1"]
BQOFWKZOCNGFEC-UHFFFAOYSA-N
CZZZABOKJQXEBO-UHFFFAOYSA-N
C1=CCC2CC2C1
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": "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...
257
239
201
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental...
{"canonical_assay_context":"bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.85,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimenta...
L1
gold_v1
sr_d3bbd55942ae4e81b888798db4bfbfe7
sr_9367ba02c6434b7ba38bb83d81876896
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>O=[N+]([O-])c1ccc2c3c1ccc1cccc(c13)[C@@H]1O[C@H]21</SMILES> - Canonical assay context: Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98 - Canonical measurement s...
(A)
train
1666c8df24eeaf17fc8081ea96f893bac375062d207c30c742420139f1171fd2
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:0993a100a8353966d6cef154d0ba5bd39cc67c8fff35bdc3304b5e2922dd940e
ames:63f1c250993acd8344e8939d10a085b8913530f044f61223a5d60a0a9afe3b79
ames:0993a100a8353966d6cef154d0ba5bd39cc67c8fff35bdc3304b5e2922dd940e
ames:63f1c250993acd8344e8939d10a085b8913530f044f61223a5d60a0a9afe3b79
LMLNXNLVGAZZPV-UHFFFAOYSA-N
HSGLBAJOUBFGPZ-JKSUJKDBSA-N
O=[N+]([O-])c1ccc2ccc3cccc4c3c2c1C1OC41
O=[N+]([O-])c1ccc2c3c1ccc1cccc(c13)[C@@H]1O[C@H]21
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","L1"]
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","L1"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=i...
[ "canonical_assay_context=Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=i...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
2
2
0
0.782226
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","L1"]
L1
ordinal
{ "calibration_sha256": "6247b4348c45aae52af4abc28a4bc3df331a81fb6e022d4f3e9ceaf6f6844428", "groups": { "assay_concept": "L1", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"bacterial_reverse_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\"B...
0
0
0.982014
0.782226
0.982014
0.017986
safety_canonical_v27
1
true
0.736842
-1
-1
-1
indirect_record
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","L1"]
LMLNXNLVGAZZPV-UHFFFAOYSA-N
HSGLBAJOUBFGPZ-JKSUJKDBSA-N
c1cc2c3c(c1)ccc1cccc(c13)C1OC21
c1cc2c3c(c1)ccc1cccc(c13)C1OC21
{ "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...
379
263
166
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.8,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental_...
{"canonical_assay_context":"Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental_...
L1
gold_v1
sr_756309566896496abed43446ef48e875
sr_377f7d6da86845ba90f1c3a9a44d83e1
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella Typhimurium TA98"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1</SMILES> - Canonical assay context: Bacterial reverse mutation (Ames) in Salmonella; strains: TA98, TA100 - Canonical measurement scale ...
(B)
train
69de92755596f363e7ef6c9a3136862b5880ab9679acc302f220958880a6bc5b
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:61b41a9cb71c9cecf03e478b57095fe518b844b324ed1f360db69e548d8210d4
ames:4b0c8c8ac0af1baeeedddade3f37bb117a3cd808de9ea8a8a2b599d2c13ab52a
ames:61b41a9cb71c9cecf03e478b57095fe518b844b324ed1f360db69e548d8210d4
ames:4b0c8c8ac0af1baeeedddade3f37bb117a3cd808de9ea8a8a2b599d2c13ab52a
QXYMVUZOGFVPGH-UHFFFAOYSA-N
WDZGGAFMGIOIQS-DHZHZOJOSA-N
Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella; strains: TA98, TA100","L1"]
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella; strains: TA98, TA100","L1"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=Bacterial reverse mutation (Ames) in Salmonella; strains: TA98, TA100", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_cont...
[ "canonical_assay_context=Bacterial reverse mutation (Ames) in Salmonella; strains: TA98, TA100", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_cont...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
2
3
1
0.606092
{ "nontransfer": 0.9999962702224251, "transfer": 0.0000037297775749374376 }
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella; strains: TA98, TA100","L1"]
L1
ordinal
{ "calibration_sha256": "6247b4348c45aae52af4abc28a4bc3df331a81fb6e022d4f3e9ceaf6f6844428", "groups": { "assay_concept": "L1", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"bacterial_reverse_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\"B...
1
1.649916
0.000004
0.606092
0.000004
0.999996
safety_canonical_v27
0
true
0.244444
-1
-1
-1
indirect_record
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella; strains: TA98, TA100","L1"]
QXYMVUZOGFVPGH-UHFFFAOYSA-N
WDZGGAFMGIOIQS-DHZHZOJOSA-N
c1ccccc1
O=C(C=Cc1ccccc1)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": "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...
128
98
85
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"Bacterial reverse mutation (Ames) in Salmonella; strains: TA98, TA100","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.75,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experim...
{"canonical_assay_context":"Bacterial reverse mutation (Ames) in Salmonella; strains: TA98, TA100","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experime...
L1
gold_v1
sr_1a50f539b03044f9a2348dcd6c495b18
sr_99601d6f0ae745379943e58b59a7dde5
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","Bacterial reverse mutation (Ames) in Salmonella; strains: TA98, TA100"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1</SMILES> - Canonical assay context: bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100 - Canonical measurement scale id: am...
(B)
train
1c3c078178f1392df43c89345c108d116bf25a67e63b10ed48017734b9a5ee1f
-1
null
-1
null
null
null
ames
mutagenicity_outcomes
limited_balanced_parent_morgan_first.v28_safety
ames:250a199dcaa0a659db5745e7db9fe819e256b3f58680c1844883dfbc6ebf120c
ames:51263ee1d6ae27cbf900e2ac63cf099e3c396e75fd74938a729e5b3421f54d75
ames:250a199dcaa0a659db5745e7db9fe819e256b3f58680c1844883dfbc6ebf120c
ames:51263ee1d6ae27cbf900e2ac63cf099e3c396e75fd74938a729e5b3421f54d75
KGCNHWXDPDPSBV-UHFFFAOYSA-N
VYZAHLCBVHPDDF-UHFFFAOYSA-N
O=[N+]([O-])c1ccc(CCl)cc1
O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","L1"]
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","L1"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=...
[ "canonical_assay_context=bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100", "canonical_measurement_scale_id=ames_mutagenicity_ordinal.v1", "chemical_entity_type=defined_chemical", "endpoint_name=bacterial_reverse_mutation", "evidence_basis=current_study_experiment", "experimental_context=...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
3
2
1
0.916948
{ "nontransfer": 0.9989989922425162, "transfer": 0.001001007757483814 }
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","L1"]
L1
ordinal
{ "calibration_sha256": "6247b4348c45aae52af4abc28a4bc3df331a81fb6e022d4f3e9ceaf6f6844428", "groups": { "assay_concept": "L1", "measurement_kind": "ordinal", "query_condition_group": "[\"mutagenicity_outcomes\",\"bacterial_reverse_mutation\",\"ordinal_outcome_class\",\"ames_mutagenicity_ordinal.v1\",\"b...
1
1.090575
0.001001
0.916948
0.001001
0.998999
safety_canonical_v27
0
true
0.419355
-1
-1
-1
indirect_record
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","L1"]
KGCNHWXDPDPSBV-UHFFFAOYSA-N
VYZAHLCBVHPDDF-UHFFFAOYSA-N
c1ccccc1
c1ccccc1
{ "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...
{ "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...
257
239
201
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental...
{"canonical_assay_context":"bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100","canonical_measurement_scale_id":"ames_mutagenicity_ordinal.v1","chemical_entity_type":"defined_chemical","confidence":0.9,"endpoint_name":"bacterial_reverse_mutation","evidence_basis":"current_study_experiment","experimental...
L1
gold_v1
sr_a30f59c813184e458228abee08807254
sr_5d68eabf0b664ff384ec195c86a6141f
["mutagenicity_outcomes","bacterial_reverse_mutation","ordinal_outcome_class","ames_mutagenicity_ordinal.v1","bacterial reverse mutation (Ames) in Salmonella Typhimurium TA100"]
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Ames record-level V27 L1

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': 460, 'validation_ranking': 13059, 'test_ranking': 11592}

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