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string
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string
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string
pair_id
string
ranking_query_id
string
ranking_member_index
int64
ranking_candidate_row_count
int64
ranking_candidate_parent_count
int64
retrieval_parent_rank
int64
retrieval_parent_context_index
int64
retrieval_parent_context_count
int64
task_id
string
source_id
string
retrieval_strategy
string
query_record_id
string
retrieval_record_id
string
query_benchmark_row_id
string
retrieval_benchmark_row_id
string
query_molecule_identity_key
string
retrieval_molecule_identity_key
string
query_smiles
string
retrieval_smiles
string
query_condition_group
string
retrieval_condition_group
string
query_condition_scope
string
retrieval_condition_scope
string
query_condition_atoms
list
retrieval_condition_atoms
list
candidate_context_relation
string
query_source_record_count
int64
retrieval_source_record_count
int64
query_agreement_fraction
float64
retrieval_agreement_fraction
float64
query_gold_Y
int64
retrieval_gold_Y
int64
ranking_balance_label
string
query_geometry_value
float64
retrieval_geometry_value
float64
absolute_geometry_difference
float64
calibration_sample_standard_deviation
float64
target_distribution
dict
canonical_endpoint_key
string
assay_concept
string
measurement_kind
string
metadata
dict
absolute_canonical_value_difference
float64
standardized_canonical_value_difference
float64
sd_logistic_similarity
float64
target_train_sample_standard_deviation
float64
target_a
float64
target_b
float64
label_mode
string
binary_label
int64
is_decisive
bool
morgan_tanimoto_similarity
float64
graph_a_position
int64
graph_b_position
int64
graph_offset
int64
representation
string
pair_bucket_key
string
query_parent_id
string
retrieval_parent_id
string
query_scaffold
string
retrieval_scaffold
string
query_evidence
dict
retrieval_evidence
dict
bucket_total_record_count
int64
bucket_train_record_count
int64
bucket_train_parent_count
int64
evaluation_regime
string
calibration_scope
string
logit_geometry_transform
string
query_source_payload_json
string
retrieval_source_payload_json
string
level
string
level_family
string
query_source_row_uid
string
retrieval_source_row_uid
string
upstream_pair_bucket_key
string
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC</SMILES> - Canonical assay context: Ames: S. typhimurium TA98 His+ revertants per plate with S9 - Canonical measurement scale id: __unkn...
(B)
train
019ae94da43b7504759582c190a96251d054b57c787e0a57f9a20ef88d4281e3
-1
null
-1
null
null
null
carcinogens
carcinogens_v2
limited_balanced_parent_morgan_first.v28_safety
carcinogens:f734b7246ceedf0447eb8237f7e6da18e11a05a515689fd987ef17306118b9c9
carcinogens:4dbdf1e099e320c567b25312153eefa259a8d0c682d647b53d825fa778ff42be
carcinogens:f734b7246ceedf0447eb8237f7e6da18e11a05a515689fd987ef17306118b9c9
carcinogens:4dbdf1e099e320c567b25312153eefa259a8d0c682d647b53d825fa778ff42be
YZLUVSDGJWNNQY-UHFFFAOYSA-N
BJQHLKABXJIVAM-UHFFFAOYSA-N
NC(CCl)c1ccccc1
CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","Ames: S. typhimurium TA98 His+ revertants per plate with S9","L4"]
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","Ames: S. typhimurium TA98 His+ revertants per plate with S9","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=Ames: S. typhimurium TA98 His+ revertants per plate with S9", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=50", "dose_unit=ug/plate", "endpoint_detail=His+ revertants per plate", "endpoint_name=bacterial_reverse_mutation", "entity_name=1-Phenyl-2-chloroet...
[ "canonical_assay_context=Ames: S. typhimurium TA98 His+ revertants per plate with S9", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=5", "dose_unit=ul/plate", "endpoint_detail=His+ revertant colonies (frameshift revertants) per plate, co-exposure with promutagen 2AA", "endpoint_name...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
45
1,806.7
1,761.7
3,690.536371
{ "nontransfer": 0.6842906769579988, "transfer": 0.31570932304200117 }
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","Ames: S. typhimurium TA98 His+ revertants per plate with S9","L4"]
L4
continuous
{ "calibration_sha256": "f3dd0fee05ce70816b449a0f900efce7f2a35db53faecc8350cad75feb598e8f", "groups": { "assay_concept": "L4", "measurement_kind": "continuous", "query_condition_group": "[\"carcinogens_v2\",\"bacterial reverse mutation\",\"revertants/plate\",\"__unknown__\",\"Ames: S. typhimurium TA98 H...
1,761.7
0.477356
0.315709
3,690.536371
0.315709
0.684291
safety_canonical_v27
0
true
0.159091
-1
-1
-1
indirect_record
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","Ames: S. typhimurium TA98 His+ revertants per plate with S9","L4"]
YZLUVSDGJWNNQY-UHFFFAOYSA-N
BJQHLKABXJIVAM-UHFFFAOYSA-N
c1ccccc1
c1ccccc1
{ "aggregation_method": "individual_record", "display_measurement_text": "45", "display_unit_text": "revertants/plate", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 45, "aggregate_max": 45, "aggregate_q1": 45, "aggr...
{ "aggregation_method": "individual_record", "display_measurement_text": "1806.7", "display_unit_text": "revertants/plate", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 1806.7, "aggregate_max": 1806.7, "aggregate_q1":...
69
64
41
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"Ames: S. typhimurium TA98 His+ revertants per plate with S9","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"50","dose_unit":"ug/plate","endpoint_detail":"His+ revertants per plate","endpoint_name":"bacterial_reverse_mutation","entity_name":"1-Phenyl-...
{"canonical_assay_context":"Ames: S. typhimurium TA98 His+ revertants per plate with S9","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"5","dose_unit":"ul/plate","endpoint_detail":"His+ revertant colonies (frameshift revertants) per plate, co-exposure with promutagen 2AA","endp...
L4
gold_v1
sr_487f8b63b1c347709279ab557542dbd4
sr_5443bb6d1b4f4dd68e90d0a2df1a724a
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","Ames: S. typhimurium TA98 His+ revertants per plate with S9"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>CC(=O)N(F)C(=O)Cc1ccccc1</SMILES> - Canonical assay context: in vitro Salmonella Typhimurium TA98; plate incorporation; His+ revertants/plate; with S9 - Canonical measurement sc...
(A)
train
aa66758537608e938b195471b16324db0d3cc77d6513274d8e4258deb56b2173
-1
null
-1
null
null
null
carcinogens
carcinogens_v2
limited_balanced_parent_morgan_first.v28_safety
carcinogens:5d29e8dc0c29d752445f9b6cf4b04590b52f9daaaa29f77e6df7868a47ba894e
carcinogens:9da2bcd849cff4130d128e8c383a3a0c18a69c6c18e69fc19fd97780b231201c
carcinogens:5d29e8dc0c29d752445f9b6cf4b04590b52f9daaaa29f77e6df7868a47ba894e
carcinogens:9da2bcd849cff4130d128e8c383a3a0c18a69c6c18e69fc19fd97780b231201c
UBAXRAHSPKWNCX-UHFFFAOYSA-N
NTOHERWOTAFWML-UHFFFAOYSA-N
C=CCSSSCC=C
CC(=O)N(F)C(=O)Cc1ccccc1
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","in vitro Salmonella Typhimurium TA98; plate incorporation; His+ revertants/plate; with S9","L4"]
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","in vitro Salmonella Typhimurium TA98; plate incorporation; His+ revertants/plate; with S9","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=in vitro Salmonella Typhimurium TA98; plate incorporation; His+ revertants/plate; with S9", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=50.00", "dose_unit=µg/plate", "endpoint_detail=His+ revertants per plate (number of revertants)", "endpoint_name=bacteri...
[ "canonical_assay_context=in vitro Salmonella Typhimurium TA98; plate incorporation; His+ revertants/plate; with S9", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=22.4", "dose_unit=nmoles/plate", "endpoint_detail=His+ revertants (net, spontaneous-subtracted) per plate", "endpoint_na...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
98
282
184
1,783.243939
{ "nontransfer": 0.0488846189189559, "transfer": 0.9511153810810441 }
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","in vitro Salmonella Typhimurium TA98; plate incorporation; His+ revertants/plate; with S9","L4"]
L4
continuous
{ "calibration_sha256": "f3dd0fee05ce70816b449a0f900efce7f2a35db53faecc8350cad75feb598e8f", "groups": { "assay_concept": "L4", "measurement_kind": "continuous", "query_condition_group": "[\"carcinogens_v2\",\"bacterial reverse mutation\",\"revertants/plate\",\"__unknown__\",\"in vitro Salmonella Typhimu...
184
0.103183
0.951115
1,783.243939
0.951115
0.048885
safety_canonical_v27
1
true
0.054054
-1
-1
-1
indirect_record
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","in vitro Salmonella Typhimurium TA98; plate incorporation; His+ revertants/plate; with S9","L4"]
UBAXRAHSPKWNCX-UHFFFAOYSA-N
NTOHERWOTAFWML-UHFFFAOYSA-N
parent:UBAXRAHSPKWNCX-UHFFFAOYSA-N
c1ccccc1
{ "aggregation_method": "individual_record", "display_measurement_text": "98", "display_unit_text": "revertants/plate", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 98, "aggregate_max": 98, "aggregate_q1": 98, "aggr...
{ "aggregation_method": "individual_record", "display_measurement_text": "282", "display_unit_text": "revertants/plate", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 282, "aggregate_max": 282, "aggregate_q1": 282, "...
28
28
18
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"in vitro Salmonella Typhimurium TA98; plate incorporation; His+ revertants/plate; with S9","canonical_measurement_scale_id":"__unknown__","confidence":0.97,"dose_or_concentration":"50.00","dose_unit":"\u00b5g/plate","endpoint_detail":"His+ revertants per plate (number of revertants)","endpoi...
{"canonical_assay_context":"in vitro Salmonella Typhimurium TA98; plate incorporation; His+ revertants/plate; with S9","canonical_measurement_scale_id":"__unknown__","confidence":0.85,"dose_or_concentration":"22.4","dose_unit":"nmoles/plate","endpoint_detail":"His+ revertants (net, spontaneous-subtracted) per plate","e...
L4
gold_v1
sr_a4945c6473ba45f883d0b97327c0888c
sr_06396bbf387446ffa45ca08513a6ed9a
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","in vitro Salmonella Typhimurium TA98; plate incorporation; His+ revertants/plate; with S9"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>CC(=O)C(C(C)=O)(C(C)=O)C(C)=O</SMILES> - Canonical assay context: SCE/cell in CHO cells - Canonical measurement scale id: __unknown__ - Dose or concentration: 250 - Dose unit: µ...
(A)
train
1448d8183fe7cf3a85137e1e25220d8214001adae892c9c49db79ea701d8905d
-1
null
-1
null
null
null
carcinogens
carcinogens_v2
limited_balanced_parent_morgan_first.v28_safety
carcinogens:6ed02b3a467ee817a08afda991ef537d2f26e0489fdfbd5b71c718a0df737e32
carcinogens:1808bbefbd1cd301b4459c199779e1e86432069af9e53dc25bc45a0734692178
carcinogens:6ed02b3a467ee817a08afda991ef537d2f26e0489fdfbd5b71c718a0df737e32
carcinogens:1808bbefbd1cd301b4459c199779e1e86432069af9e53dc25bc45a0734692178
NPYPAHLBTDXSSS-UHFFFAOYSA-N
QZELMXYYONEIDT-UHFFFAOYSA-N
[K+]
CC(=O)C(C(C)=O)(C(C)=O)C(C)=O
["carcinogens_v2","sister chromatid exchange","SCEs/cell","__unknown__","SCE/cell in CHO cells","L4"]
["carcinogens_v2","sister chromatid exchange","SCEs/cell","__unknown__","SCE/cell in CHO cells","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=SCE/cell in CHO cells", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=180", "dose_unit=mM", "endpoint_detail=SCEs per cell (sister chromatid exchanges, scored in 25 cells/point)", "endpoint_name=sister_chromatid_exchange", "entity_name=Potassium chloride",...
[ "canonical_assay_context=SCE/cell in CHO cells", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=250", "dose_unit=µM", "endpoint_detail=SCEs per cell; cell kinetics index (CKI); relative percent survival", "endpoint_name=sister_chromatid_exchange", "entity_name=diacetyl", "exposur...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
11.4
16.6
5.2
13.196593
{ "nontransfer": 0.4851071580513746, "transfer": 0.5148928419486254 }
["carcinogens_v2","sister chromatid exchange","SCEs/cell","__unknown__","SCE/cell in CHO cells","L4"]
L4
continuous
{ "calibration_sha256": "f3dd0fee05ce70816b449a0f900efce7f2a35db53faecc8350cad75feb598e8f", "groups": { "assay_concept": "L4", "measurement_kind": "continuous", "query_condition_group": "[\"carcinogens_v2\",\"sister chromatid exchange\",\"SCEs/cell\",\"__unknown__\",\"SCE/cell in CHO cells\",\"L4\"]", ...
5.2
0.394041
0.514893
13.196593
0.514893
0.485107
safety_canonical_v27
1
false
0
-1
-1
-1
indirect_record
["carcinogens_v2","sister chromatid exchange","SCEs/cell","__unknown__","SCE/cell in CHO cells","L4"]
NPYPAHLBTDXSSS-UHFFFAOYSA-N
QZELMXYYONEIDT-UHFFFAOYSA-N
parent:NPYPAHLBTDXSSS-UHFFFAOYSA-N
parent:QZELMXYYONEIDT-UHFFFAOYSA-N
{ "aggregation_method": "individual_record", "display_measurement_text": "11.4", "display_unit_text": "SCEs/cell", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 11.4, "aggregate_max": 11.4, "aggregate_q1": 11.4, "agg...
{ "aggregation_method": "individual_record", "display_measurement_text": "16.6", "display_unit_text": "SCEs/cell", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 16.6, "aggregate_max": 16.6, "aggregate_q1": 16.6, "agg...
108
97
31
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"SCE/cell in CHO cells","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"180","dose_unit":"mM","endpoint_detail":"SCEs per cell (sister chromatid exchanges, scored in 25 cells/point)","endpoint_name":"sister_chromatid_exchange","entity_name":"Potassium ...
{"canonical_assay_context":"SCE/cell in CHO cells","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"250","dose_unit":"\u00b5M","endpoint_detail":"SCEs per cell; cell kinetics index (CKI); relative percent survival","endpoint_name":"sister_chromatid_exchange","entity_name":"diacet...
L4
gold_v1
sr_698097b9a66d444b97a887a61ed9b7ca
sr_c41fdc3e5fa545b590e0ed6c1ba81a1a
["carcinogens_v2","sister chromatid exchange","SCEs/cell","__unknown__","SCE/cell in CHO cells"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>O=[As](O)(O)O</SMILES> - Canonical assay context: Sister chromatid exchange per cell in human peripheral blood lymphocytes in vitro - Canonical measurement scale id: __unknown__...
(B)
train
b32538a55efc3919159d3c203ac830c02955c3065de9104f4248c9d8a709219b
-1
null
-1
null
null
null
carcinogens
carcinogens_v2
limited_balanced_parent_morgan_first.v28_safety
carcinogens:e4401d042ee2041a423d3a9bafe5f7dc6c3e3882fe474610a77a014a3f8409d6
carcinogens:3bb5d5e655c27239d543f4e32c85fcc895b3c9168f1b0346f41d281d14ac93ed
carcinogens:e4401d042ee2041a423d3a9bafe5f7dc6c3e3882fe474610a77a014a3f8409d6
carcinogens:3bb5d5e655c27239d543f4e32c85fcc895b3c9168f1b0346f41d281d14ac93ed
MCAHWIHFGHIESP-UHFFFAOYSA-N
DJHGAFSJWGLOIV-UHFFFAOYSA-N
O=[Se](O)O
O=[As](O)(O)O
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","Sister chromatid exchange per cell in human peripheral blood lymphocytes in vitro","L4"]
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","Sister chromatid exchange per cell in human peripheral blood lymphocytes in vitro","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=Sister chromatid exchange per cell in human peripheral blood lymphocytes in vitro", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=7.95e-06", "dose_unit=M", "endpoint_detail=sister chromatid exchanges per cell (SCE/cell)", "endpoint_name=sister_chromatid_exch...
[ "canonical_assay_context=Sister chromatid exchange per cell in human peripheral blood lymphocytes in vitro", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=2.5", "dose_unit=µg/mL", "endpoint_detail=Sister chromatid exchange per metaphase cell, scored in 30 metaphases", "endpoint_name...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
31.73
11.2
20.53
10.708403
{ "nontransfer": 0.9999997424005385, "transfer": 2.575994614865142e-7 }
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","Sister chromatid exchange per cell in human peripheral blood lymphocytes in vitro","L4"]
L4
continuous
{ "calibration_sha256": "f3dd0fee05ce70816b449a0f900efce7f2a35db53faecc8350cad75feb598e8f", "groups": { "assay_concept": "L4", "measurement_kind": "continuous", "query_condition_group": "[\"carcinogens_v2\",\"sister chromatid exchange\",\"SCE/cell\",\"__unknown__\",\"Sister chromatid exchange per cell i...
20.53
1.917186
0
10.708403
0
1
safety_canonical_v27
0
true
0.2
-1
-1
-1
indirect_record
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","Sister chromatid exchange per cell in human peripheral blood lymphocytes in vitro","L4"]
MCAHWIHFGHIESP-UHFFFAOYSA-N
DJHGAFSJWGLOIV-UHFFFAOYSA-N
parent:MCAHWIHFGHIESP-UHFFFAOYSA-N
parent:DJHGAFSJWGLOIV-UHFFFAOYSA-N
{ "aggregation_method": "individual_record", "display_measurement_text": "31.73", "display_unit_text": "SCE/cell", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 31.73, "aggregate_max": 31.73, "aggregate_q1": 31.73, "...
{ "aggregation_method": "individual_record", "display_measurement_text": "11.2", "display_unit_text": "SCE/cell", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 11.2, "aggregate_max": 11.2, "aggregate_q1": 11.2, "aggr...
162
152
46
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"Sister chromatid exchange per cell in human peripheral blood lymphocytes in vitro","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"7.95e-06","dose_unit":"M","endpoint_detail":"sister chromatid exchanges per cell (SCE/cell)","endpoint_name":"sister_chr...
{"canonical_assay_context":"Sister chromatid exchange per cell in human peripheral blood lymphocytes in vitro","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"2.5","dose_unit":"\u00b5g/mL","endpoint_detail":"Sister chromatid exchange per metaphase cell, scored in 30 metaphases",...
L4
gold_v1
sr_b69db67feb8e4e2088312faf434ab77f
sr_dadc47424bd943a2a55758da19b659c5
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","Sister chromatid exchange per cell in human peripheral blood lymphocytes in vitro"]
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> - Canonical assay context: sister chromatid exchange (SCE) frequency - Canonical measurement scale id: __unknown__ - Dose or concentration: 5×10^-4 - Dos...
(B)
train
972f39fcb1e8f07aa60c3823945b3a0aefa8eb79f732bd2d79a9bd0309d8aff7
-1
null
-1
null
null
null
carcinogens
carcinogens_v2
limited_balanced_parent_morgan_first.v28_safety
carcinogens:b30c16c18a92bc71ea2d24c6ca7b8028e7b73e6df3a0a00d0a61a3c9af49dd9a
carcinogens:8d3613b31ea6c73a02ffdf7f0dc660121d08e1b82a61870f1d900c3ea3b6e7e0
carcinogens:b30c16c18a92bc71ea2d24c6ca7b8028e7b73e6df3a0a00d0a61a3c9af49dd9a
carcinogens:8d3613b31ea6c73a02ffdf7f0dc660121d08e1b82a61870f1d900c3ea3b6e7e0
VZUNGTLZRAYYDE-UHFFFAOYSA-N
FUSGACRLAFQQRL-UHFFFAOYSA-N
CN(N=O)C(=N)N[N+](=O)[O-]
CCN(N=O)C(N)=O
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","sister chromatid exchange (SCE) frequency","L4"]
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","sister chromatid exchange (SCE) frequency","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=sister chromatid exchange (SCE) frequency", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=1.36", "dose_unit=µM", "endpoint_detail=sister-chromatid exchanges per cell (SCE/cell, s.d.)", "endpoint_name=sister_chromatid_exchange", "entity_name=N-methyl-N'-nit...
[ "canonical_assay_context=sister chromatid exchange (SCE) frequency", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=5×10^-4", "dose_unit=M", "endpoint_detail=Sister chromatid exchanges per cell (M2 cells)", "endpoint_name=sister_chromatid_exchange", "entity_name=N-ethyl-N-nitrosour...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
28.4
12.3
16.1
33.970805
{ "nontransfer": 0.676856707150522, "transfer": 0.3231432928494779 }
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","sister chromatid exchange (SCE) frequency","L4"]
L4
continuous
{ "calibration_sha256": "f3dd0fee05ce70816b449a0f900efce7f2a35db53faecc8350cad75feb598e8f", "groups": { "assay_concept": "L4", "measurement_kind": "continuous", "query_condition_group": "[\"carcinogens_v2\",\"sister chromatid exchange\",\"SCE/cell\",\"__unknown__\",\"sister chromatid exchange (SCE) freq...
16.1
0.473936
0.323143
33.970805
0.323143
0.676857
safety_canonical_v27
0
true
0.194444
-1
-1
-1
indirect_record
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","sister chromatid exchange (SCE) frequency","L4"]
VZUNGTLZRAYYDE-UHFFFAOYSA-N
FUSGACRLAFQQRL-UHFFFAOYSA-N
parent:VZUNGTLZRAYYDE-UHFFFAOYSA-N
parent:FUSGACRLAFQQRL-UHFFFAOYSA-N
{ "aggregation_method": "individual_record", "display_measurement_text": "28.4", "display_unit_text": "SCE/cell", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 28.4, "aggregate_max": 28.4, "aggregate_q1": 28.4, "aggr...
{ "aggregation_method": "individual_record", "display_measurement_text": "12.3", "display_unit_text": "SCE/cell", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 12.3, "aggregate_max": 12.3, "aggregate_q1": 12.3, "aggr...
156
136
46
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"sister chromatid exchange (SCE) frequency","canonical_measurement_scale_id":"__unknown__","confidence":0.7,"dose_or_concentration":"1.36","dose_unit":"\u00b5M","endpoint_detail":"sister-chromatid exchanges per cell (SCE/cell, s.d.)","endpoint_name":"sister_chromatid_exchange","entity_name":"...
{"canonical_assay_context":"sister chromatid exchange (SCE) frequency","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"5\u00d710^-4","dose_unit":"M","endpoint_detail":"Sister chromatid exchanges per cell (M2 cells)","endpoint_name":"sister_chromatid_exchange","entity_name":"N-et...
L4
gold_v1
sr_e3219fa77b1c4d97918d6fc5725d87e0
sr_e7dfd683588440799a507295138b7b70
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","sister chromatid exchange (SCE) frequency"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>C=Cc1ccccc1</SMILES> - Canonical assay context: comet assay % tail DNA - Canonical measurement scale id: __unknown__ - Endpoint detail: single-strand breaks; percentage of DNA i...
(A)
train
e2a2c951c07b215ea4e45ac409e654220b35ed16b999c38aec3b234501ff7ac8
-1
null
-1
null
null
null
carcinogens
carcinogens_v2
limited_balanced_parent_morgan_first.v28_safety
carcinogens:454b3bf86fb234c5c4dfc413214e009a26ed52d5a5880628e86f30ce4580918b
carcinogens:9b29e168c562fae02ad861031083ac1f4a7dbaefe08bfda6bcc70cc1b45885b3
carcinogens:454b3bf86fb234c5c4dfc413214e009a26ed52d5a5880628e86f30ce4580918b
carcinogens:9b29e168c562fae02ad861031083ac1f4a7dbaefe08bfda6bcc70cc1b45885b3
MHAJPDPJQMAIIY-UHFFFAOYSA-N
PPBRXRYQALVLMV-UHFFFAOYSA-N
OO
C=Cc1ccccc1
["carcinogens_v2","comet assay","% DNA in tail","__unknown__","comet assay % tail DNA","L4"]
["carcinogens_v2","comet assay","% DNA in tail","__unknown__","comet assay % tail DNA","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=comet assay % tail DNA", "canonical_measurement_scale_id=__unknown__", "endpoint_detail=DNA damage expressed as % DNA in the comet tail", "endpoint_name=comet", "entity_name=hydrogen peroxide", "test_system=in_vitro; Chinese hamster ovary-derived MTMT cells (MT-1-transfected); syn...
[ "canonical_assay_context=comet assay % tail DNA", "canonical_measurement_scale_id=__unknown__", "endpoint_detail=single-strand breaks; percentage of DNA in the tail (comet)", "endpoint_name=comet", "entity_name=Styrene", "exposure_timing=occupational exposure; blood sampling; lymphocyte comet analysis", ...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
18.4
23.9
5.5
24.505262
{ "nontransfer": 0.14734426830221703, "transfer": 0.852655731697783 }
["carcinogens_v2","comet assay","% DNA in tail","__unknown__","comet assay % tail DNA","L4"]
L4
continuous
{ "calibration_sha256": "f3dd0fee05ce70816b449a0f900efce7f2a35db53faecc8350cad75feb598e8f", "groups": { "assay_concept": "L4", "measurement_kind": "continuous", "query_condition_group": "[\"carcinogens_v2\",\"comet assay\",\"% DNA in tail\",\"__unknown__\",\"comet assay % tail DNA\",\"L4\"]", "query...
5.5
0.224442
0.852656
24.505262
0.852656
0.147344
safety_canonical_v27
1
true
0.066667
-1
-1
-1
indirect_record
["carcinogens_v2","comet assay","% DNA in tail","__unknown__","comet assay % tail DNA","L4"]
MHAJPDPJQMAIIY-UHFFFAOYSA-N
PPBRXRYQALVLMV-UHFFFAOYSA-N
parent:MHAJPDPJQMAIIY-UHFFFAOYSA-N
c1ccccc1
{ "aggregation_method": "individual_record", "display_measurement_text": "18.4", "display_unit_text": "% DNA in tail", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 18.4, "aggregate_max": 18.4, "aggregate_q1": 18.4, ...
{ "aggregation_method": "individual_record", "display_measurement_text": "23.9", "display_unit_text": "% DNA in tail", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 23.9, "aggregate_max": 23.9, "aggregate_q1": 23.9, ...
75
74
34
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"comet assay % tail DNA","canonical_measurement_scale_id":"__unknown__","confidence":0.85,"dose_or_concentration":null,"dose_unit":null,"endpoint_detail":"DNA damage expressed as % DNA in the comet tail","endpoint_name":"comet","entity_name":"hydrogen peroxide","exposure_timing":null,"extra_d...
{"canonical_assay_context":"comet assay % tail DNA","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":null,"dose_unit":null,"endpoint_detail":"single-strand breaks; percentage of DNA in the tail (comet)","endpoint_name":"comet","entity_name":"Styrene","exposure_timing":"occupationa...
L4
gold_v1
sr_df242d289cc448168db4cbecae406dd5
sr_188350522036489d8da9cc35a7821cd2
["carcinogens_v2","comet assay","% DNA in tail","__unknown__","comet assay % tail DNA"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>CC(=O)Nc1ccc(/C=C/c2ccc(Cl)cc2)cc1</SMILES> - Canonical assay context: Salmonella typhimurium TA100 Ames plate incorporation test, His+ revertant colonies per plate - Canonical ...
(A)
train
02bebfdb93f5b6f53746311886ca761f006ed62e853e97c10f80990db82d8017
-1
null
-1
null
null
null
carcinogens
carcinogens_v2
limited_balanced_parent_morgan_first.v28_safety
carcinogens:99f9946bf43b14e77888dc5f90fd7deeafe96c8e2ecd7ceb9492ed5e215852ba
carcinogens:63a7528d6fbd1cc42feabc5e7a1decfd461e63520e324188792bec580741366b
carcinogens:99f9946bf43b14e77888dc5f90fd7deeafe96c8e2ecd7ceb9492ed5e215852ba
carcinogens:63a7528d6fbd1cc42feabc5e7a1decfd461e63520e324188792bec580741366b
XWVCGVPSPHTRHE-BQYQJAHWSA-N
DAFSIDRUIBBINP-NSCUHMNNSA-N
CC(=O)Nc1ccc(/C=C/c2ccccc2)cc1
CC(=O)Nc1ccc(/C=C/c2ccc(Cl)cc2)cc1
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","Salmonella typhimurium TA100 Ames plate incorporation test, His+ revertant colonies per plate","L4"]
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","Salmonella typhimurium TA100 Ames plate incorporation test, His+ revertant colonies per plate","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=Salmonella typhimurium TA100 Ames plate incorporation test, His+ revertant colonies per plate", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=10", "dose_unit=nmol/plate", "endpoint_detail=His+ revertant colonies per plate (background corrected)", "endpoint_n...
[ "canonical_assay_context=Salmonella typhimurium TA100 Ames plate incorporation test, His+ revertant colonies per plate", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=10", "dose_unit=nmol/plate", "endpoint_detail=His+ revertant colonies per plate (background corrected)", "endpoint_n...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
385
382
3
394.458489
{ "nontransfer": 0.019379943905042607, "transfer": 0.9806200560949574 }
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","Salmonella typhimurium TA100 Ames plate incorporation test, His+ revertant colonies per plate","L4"]
L4
continuous
{ "calibration_sha256": "f3dd0fee05ce70816b449a0f900efce7f2a35db53faecc8350cad75feb598e8f", "groups": { "assay_concept": "L4", "measurement_kind": "continuous", "query_condition_group": "[\"carcinogens_v2\",\"bacterial reverse mutation\",\"revertants/plate\",\"__unknown__\",\"Salmonella typhimurium TA10...
3
0.007605
0.98062
394.458489
0.98062
0.01938
safety_canonical_v27
1
true
0.709677
-1
-1
-1
indirect_record
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","Salmonella typhimurium TA100 Ames plate incorporation test, His+ revertant colonies per plate","L4"]
XWVCGVPSPHTRHE-BQYQJAHWSA-N
DAFSIDRUIBBINP-NSCUHMNNSA-N
C(=Cc1ccccc1)c1ccccc1
C(=Cc1ccccc1)c1ccccc1
{ "aggregation_method": "individual_record", "display_measurement_text": "385", "display_unit_text": "revertants/plate", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 385, "aggregate_max": 385, "aggregate_q1": 385, "...
{ "aggregation_method": "individual_record", "display_measurement_text": "382", "display_unit_text": "revertants/plate", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 382, "aggregate_max": 382, "aggregate_q1": 382, "...
43
43
21
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"Salmonella typhimurium TA100 Ames plate incorporation test, His+ revertant colonies per plate","canonical_measurement_scale_id":"__unknown__","confidence":0.95,"dose_or_concentration":"10","dose_unit":"nmol/plate","endpoint_detail":"His+ revertant colonies per plate (background corrected)","...
{"canonical_assay_context":"Salmonella typhimurium TA100 Ames plate incorporation test, His+ revertant colonies per plate","canonical_measurement_scale_id":"__unknown__","confidence":0.95,"dose_or_concentration":"10","dose_unit":"nmol/plate","endpoint_detail":"His+ revertant colonies per plate (background corrected)","...
L4
gold_v1
sr_655eaad4af87447eb5b696ecf9a591ef
sr_569488efff6a41fa8eab316838451eab
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","Salmonella typhimurium TA100 Ames plate incorporation test, His+ revertant colonies per plate"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>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)...
(B)
train
9ca8d4d4f5eb02a8cb12a970369a11e4c45f55654707144981013b825b6842e0
-1
null
-1
null
null
null
carcinogens
carcinogens_v2
limited_balanced_parent_morgan_first.v28_safety
carcinogens:d1630240b1e07c0547c7d1f938f04bf0088df67015402982161a2eea1d6d4bbc
carcinogens:bf556e411b2dc99f9eeffa19d05c39af9dbd5e1477da2b1a3cb2871ebab93e18
carcinogens:d1630240b1e07c0547c7d1f938f04bf0088df67015402982161a2eea1d6d4bbc
carcinogens:bf556e411b2dc99f9eeffa19d05c39af9dbd5e1477da2b1a3cb2871ebab93e18
VYZAMTAEIAYCRO-UHFFFAOYSA-N
YKQOSKADJPQZHB-RGYSVOEGSA-N
[Cr]
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
["carcinogens_v2","comet assay","% tail DNA","__unknown__","alkaline comet assay: DNA strand breaks/alkali-labile sites","L4"]
["carcinogens_v2","comet assay","% tail DNA","__unknown__","alkaline comet assay: DNA strand breaks/alkali-labile sites","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=alkaline comet assay: DNA strand breaks/alkali-labile sites", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=50", "dose_unit=mg/L", "endpoint_detail=Percentage tail DNA (% DNA in tail) from 100 cells per sample as a measure of DNA strand breaks", "endpoint_na...
[ "canonical_assay_context=alkaline comet assay: DNA strand breaks/alkali-labile sites", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=1100", "dose_unit=ng/ml", "endpoint_detail=DNA strand breaks/alkali-labile sites measured as % tail DNA in the comet assay", "endpoint_name=comet", ...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
11.1
40.07
28.97
24.00596
{ "nontransfer": 0.9996866374388403, "transfer": 0.0003133625611597101 }
["carcinogens_v2","comet assay","% tail DNA","__unknown__","alkaline comet assay: DNA strand breaks/alkali-labile sites","L4"]
L4
continuous
{ "calibration_sha256": "f3dd0fee05ce70816b449a0f900efce7f2a35db53faecc8350cad75feb598e8f", "groups": { "assay_concept": "L4", "measurement_kind": "continuous", "query_condition_group": "[\"carcinogens_v2\",\"comet assay\",\"% tail DNA\",\"__unknown__\",\"alkaline comet assay: DNA strand breaks/alkali-l...
28.97
1.206784
0.000313
24.00596
0.000313
0.999687
safety_canonical_v27
0
true
0.013158
-1
-1
-1
indirect_record
["carcinogens_v2","comet assay","% tail DNA","__unknown__","alkaline comet assay: DNA strand breaks/alkali-labile sites","L4"]
VYZAMTAEIAYCRO-UHFFFAOYSA-N
YKQOSKADJPQZHB-RGYSVOEGSA-N
parent:VYZAMTAEIAYCRO-UHFFFAOYSA-N
O=C1CCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1
{ "aggregation_method": "individual_record", "display_measurement_text": "11.1", "display_unit_text": "% tail DNA", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 11.1, "aggregate_max": 11.1, "aggregate_q1": 11.1, "ag...
{ "aggregation_method": "individual_record", "display_measurement_text": "40.07", "display_unit_text": "% tail DNA", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 40.07, "aggregate_max": 40.07, "aggregate_q1": 40.07, ...
43
42
23
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"alkaline comet assay: DNA strand breaks/alkali-labile sites","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"50","dose_unit":"mg/L","endpoint_detail":"Percentage tail DNA (% DNA in tail) from 100 cells per sample as a measure of DNA strand breaks","en...
{"canonical_assay_context":"alkaline comet assay: DNA strand breaks/alkali-labile sites","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"1100","dose_unit":"ng/ml","endpoint_detail":"DNA strand breaks/alkali-labile sites measured as % tail DNA in the comet assay","endpoint_name":...
L4
gold_v1
sr_4e3deb09f5ea48d8ab90894855763844
sr_8757dd6487384644a94a8dd81334204c
["carcinogens_v2","comet assay","% tail DNA","__unknown__","alkaline comet assay: DNA strand breaks/alkali-labile sites"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@@]12CC[C@]3(O)CO</SMILES> - Canonical assay context: in vitro SCE frequency per metaphase - Canonical measurement scale i...
(A)
train
9b14e7e25acb523998b17711bfb41af80b0a9373b934e3e37b07a0dfe91a32c7
-1
null
-1
null
null
null
carcinogens
carcinogens_v2
limited_balanced_parent_morgan_first.v28_safety
carcinogens:7406c5d9e01521d6374dd04df153bbce511a298e724fd69a8ba32d217a83df2a
carcinogens:a5e118dc5e6f8ea64d0e5a40bb02748f3573b75b8d92efcc248d1f5c07e3fb2b
carcinogens:7406c5d9e01521d6374dd04df153bbce511a298e724fd69a8ba32d217a83df2a
carcinogens:a5e118dc5e6f8ea64d0e5a40bb02748f3573b75b8d92efcc248d1f5c07e3fb2b
VJJPUSNTGOMMGY-MRVIYFEKSA-N
NOFOAYPPHIUXJR-APNQCZIXSA-N
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
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@@]12CC[C@]3(O)CO
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","in vitro SCE frequency per metaphase","L4"]
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","in vitro SCE frequency per metaphase","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=in vitro SCE frequency per metaphase", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=0.4", "dose_unit=µM", "endpoint_detail=Sister chromatid exchange frequency per metaphase spread", "endpoint_name=sister_chromatid_exchange", "entity_name=Etoposide", "ex...
[ "canonical_assay_context=in vitro SCE frequency per metaphase", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=0.4", "dose_unit=µM", "endpoint_detail=Number of sister-chromatid exchanges (SCEs) per metaphase", "endpoint_name=sister_chromatid_exchange", "entity_name=Aphidicolin", ...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
14.9
14.2
0.7
9.120567
{ "nontransfer": 0.03796070100665916, "transfer": 0.9620392989933408 }
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","in vitro SCE frequency per metaphase","L4"]
L4
continuous
{ "calibration_sha256": "f3dd0fee05ce70816b449a0f900efce7f2a35db53faecc8350cad75feb598e8f", "groups": { "assay_concept": "L4", "measurement_kind": "continuous", "query_condition_group": "[\"carcinogens_v2\",\"sister chromatid exchange\",\"SCE/cell\",\"__unknown__\",\"in vitro SCE frequency per metaphase...
0.7
0.07675
0.962039
9.120567
0.962039
0.037961
safety_canonical_v27
1
true
0.06
-1
-1
-1
indirect_record
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","in vitro SCE frequency per metaphase","L4"]
VJJPUSNTGOMMGY-MRVIYFEKSA-N
NOFOAYPPHIUXJR-APNQCZIXSA-N
O=C1OCC2C(OC3CCC4OCOCC4O3)c3cc4c(cc3C(c3ccccc3)C12)OCO4
C1CCC2C(C1)CCC1CC3CCCC12C3
{ "aggregation_method": "individual_record", "display_measurement_text": "14.9", "display_unit_text": "SCE/cell", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 14.9, "aggregate_max": 14.9, "aggregate_q1": 14.9, "aggr...
{ "aggregation_method": "individual_record", "display_measurement_text": "14.2", "display_unit_text": "SCE/cell", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 14.2, "aggregate_max": 14.2, "aggregate_q1": 14.2, "aggr...
64
63
15
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"in vitro SCE frequency per metaphase","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"0.4","dose_unit":"\u00b5M","endpoint_detail":"Sister chromatid exchange frequency per metaphase spread","endpoint_name":"sister_chromatid_exchange","entity_name":"Et...
{"canonical_assay_context":"in vitro SCE frequency per metaphase","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"0.4","dose_unit":"\u00b5M","endpoint_detail":"Number of sister-chromatid exchanges (SCEs) per metaphase","endpoint_name":"sister_chromatid_exchange","entity_name":"A...
L4
gold_v1
sr_5a4111fb003b4f458a7fe72bb49bad2a
sr_3493433bad3c4c5385c4502df7094e2a
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","in vitro SCE frequency per metaphase"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>Nc1ccc([N+](=O)[O-])cc1N</SMILES> - Canonical assay context: Salmonella typhimurium TA100 Ames plate incorporation test, His+ revertant colonies per plate - Canonical measuremen...
(B)
train
a808b4546238831b88d8a53969c68ceb57a33f0a34ef9201e80a75e54f7e5937
-1
null
-1
null
null
null
carcinogens
carcinogens_v2
limited_balanced_parent_morgan_first.v28_safety
carcinogens:20508030c2fcc40ce679a189888124910bf77344ea4f142122f9bee461edf36f
carcinogens:e65428ef8b34da96bf0fe34be17e18b48db36594d729e6b75047288a98ab078c
carcinogens:20508030c2fcc40ce679a189888124910bf77344ea4f142122f9bee461edf36f
carcinogens:e65428ef8b34da96bf0fe34be17e18b48db36594d729e6b75047288a98ab078c
YHQDZJICGQWFHK-UHFFFAOYSA-N
RAUWPNXIALNKQM-UHFFFAOYSA-N
O=[N+]([O-])c1cc[n+]([O-])c2ccccc12
Nc1ccc([N+](=O)[O-])cc1N
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","Salmonella typhimurium TA100 Ames plate incorporation test, His+ revertant colonies per plate","L4"]
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","Salmonella typhimurium TA100 Ames plate incorporation test, His+ revertant colonies per plate","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=Salmonella typhimurium TA100 Ames plate incorporation test, His+ revertant colonies per plate", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=0.1", "dose_unit=ug/plate", "endpoint_detail=His+ revertant (mutant) colonies per plate", "endpoint_name=bacterial_r...
[ "canonical_assay_context=Salmonella typhimurium TA100 Ames plate incorporation test, His+ revertant colonies per plate", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=100", "dose_unit=µg/plate", "endpoint_detail=His+ revertant colonies per plate", "endpoint_name=bacterial_reverse_mu...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
781
1,579
798
394.458489
{ "nontransfer": 0.9999999106107755, "transfer": 8.938922443151781e-8 }
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","Salmonella typhimurium TA100 Ames plate incorporation test, His+ revertant colonies per plate","L4"]
L4
continuous
{ "calibration_sha256": "f3dd0fee05ce70816b449a0f900efce7f2a35db53faecc8350cad75feb598e8f", "groups": { "assay_concept": "L4", "measurement_kind": "continuous", "query_condition_group": "[\"carcinogens_v2\",\"bacterial reverse mutation\",\"revertants/plate\",\"__unknown__\",\"Salmonella typhimurium TA10...
798
2.023027
0
394.458489
0
1
safety_canonical_v27
0
true
0.236842
-1
-1
-1
indirect_record
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","Salmonella typhimurium TA100 Ames plate incorporation test, His+ revertant colonies per plate","L4"]
YHQDZJICGQWFHK-UHFFFAOYSA-N
RAUWPNXIALNKQM-UHFFFAOYSA-N
c1ccc2[nH+]cccc2c1
c1ccccc1
{ "aggregation_method": "individual_record", "display_measurement_text": "781", "display_unit_text": "revertants/plate", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 781, "aggregate_max": 781, "aggregate_q1": 781, "...
{ "aggregation_method": "individual_record", "display_measurement_text": "1579", "display_unit_text": "revertants/plate", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 1579, "aggregate_max": 1579, "aggregate_q1": 1579,...
43
43
21
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"Salmonella typhimurium TA100 Ames plate incorporation test, His+ revertant colonies per plate","canonical_measurement_scale_id":"__unknown__","confidence":0.85,"dose_or_concentration":"0.1","dose_unit":"ug/plate","endpoint_detail":"His+ revertant (mutant) colonies per plate","endpoint_name":...
{"canonical_assay_context":"Salmonella typhimurium TA100 Ames plate incorporation test, His+ revertant colonies per plate","canonical_measurement_scale_id":"__unknown__","confidence":0.85,"dose_or_concentration":"100","dose_unit":"\u00b5g/plate","endpoint_detail":"His+ revertant colonies per plate","endpoint_name":"bac...
L4
gold_v1
sr_9547f303ed6b40ddac4dc6b66b1aa65c
sr_f2b927c9289f44ca94d66dbdaf54b36e
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","Salmonella typhimurium TA100 Ames plate incorporation test, His+ revertant colonies per plate"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO</SMILES> - Canonical assay context: human biomonitoring sister chromatid exchange (SCE) - Canonical measurement scale id: __unknown__ - Do...
(A)
train
c2877a298b6435d68362a061c3cb1c36ea6d9a2b333ab72ecb01968b39f479eb
-1
null
-1
null
null
null
carcinogens
carcinogens_v2
limited_balanced_parent_morgan_first.v28_safety
carcinogens:25689ecf64775515adb9508006eb1d10f08562657083b98603e0c83899015f32
carcinogens:f3e039da3078e454a128988710a924010d55378ddc535470704b75b5ee0554c1
carcinogens:25689ecf64775515adb9508006eb1d10f08562657083b98603e0c83899015f32
carcinogens:f3e039da3078e454a128988710a924010d55378ddc535470704b75b5ee0554c1
PPBRXRYQALVLMV-UHFFFAOYSA-N
MBBZMMPHUWSWHV-BDVNFPICSA-N
C=Cc1ccccc1
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","human biomonitoring sister chromatid exchange (SCE)","L4"]
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","human biomonitoring sister chromatid exchange (SCE)","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=human biomonitoring sister chromatid exchange (SCE)", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=high exposure group", "endpoint_detail=mean number of sister chromatid exchanges per cell (SCE/cell)", "endpoint_name=sister_chromatid_exchange", "entity_name...
[ "canonical_assay_context=human biomonitoring sister chromatid exchange (SCE)", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=15 (mg/kg/day antimony)", "dose_unit=mg/kg/day", "endpoint_detail=mean sister chromatid exchange frequency per cell", "endpoint_name=sister_chromatid_exchange...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
7.32
5.95
1.37
4.185637
{ "nontransfer": 0.3258749951156277, "transfer": 0.6741250048843723 }
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","human biomonitoring sister chromatid exchange (SCE)","L4"]
L4
continuous
{ "calibration_sha256": "f3dd0fee05ce70816b449a0f900efce7f2a35db53faecc8350cad75feb598e8f", "groups": { "assay_concept": "L4", "measurement_kind": "continuous", "query_condition_group": "[\"carcinogens_v2\",\"sister chromatid exchange\",\"SCE/cell\",\"__unknown__\",\"human biomonitoring sister chromatid...
1.37
0.32731
0.674125
4.185637
0.674125
0.325875
safety_canonical_v27
1
true
0.03125
-1
-1
-1
indirect_record
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","human biomonitoring sister chromatid exchange (SCE)","L4"]
PPBRXRYQALVLMV-UHFFFAOYSA-N
MBBZMMPHUWSWHV-BDVNFPICSA-N
c1ccccc1
parent:MBBZMMPHUWSWHV-BDVNFPICSA-N
{ "aggregation_method": "individual_record", "display_measurement_text": "7.32", "display_unit_text": "SCE/cell", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 7.32, "aggregate_max": 7.32, "aggregate_q1": 7.32, "aggr...
{ "aggregation_method": "individual_record", "display_measurement_text": "5.95", "display_unit_text": "SCE/cell", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 5.95, "aggregate_max": 5.95, "aggregate_q1": 5.95, "aggr...
26
20
13
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"human biomonitoring sister chromatid exchange (SCE)","canonical_measurement_scale_id":"__unknown__","confidence":0.85,"dose_or_concentration":"high exposure group","dose_unit":null,"endpoint_detail":"mean number of sister chromatid exchanges per cell (SCE/cell)","endpoint_name":"sister_chrom...
{"canonical_assay_context":"human biomonitoring sister chromatid exchange (SCE)","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"15 (mg/kg/day antimony)","dose_unit":"mg/kg/day","endpoint_detail":"mean sister chromatid exchange frequency per cell","endpoint_name":"sister_chromat...
L4
gold_v1
sr_7db9f3ecc8dd4ceea644c695cf75561a
sr_e9993668f73b4a739698ab8abf530428
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","human biomonitoring sister chromatid exchange (SCE)"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>Oc1ccc(Cc2ccc(O)cc2)cc1</SMILES> - Canonical assay context: Alkaline comet assay (% tail DNA) - Canonical measurement scale id: __unknown__ - Dose or concentration: 10 - Dose un...
(A)
train
b99111a98f45c01b17b83e5f57e4ccc44832f49cb994230c3cb51deb8b308b78
-1
null
-1
null
null
null
carcinogens
carcinogens_v2
limited_balanced_parent_morgan_first.v28_safety
carcinogens:f9dd8f4ac8de6bbd4e9959b11381beab6094ea919188ac19c6c64427bc4b82fe
carcinogens:daa18a11c3a75597c65ae2a56e3e3dac0c9404a7e2cde517808ab28d80878f68
carcinogens:f9dd8f4ac8de6bbd4e9959b11381beab6094ea919188ac19c6c64427bc4b82fe
carcinogens:daa18a11c3a75597c65ae2a56e3e3dac0c9404a7e2cde517808ab28d80878f68
PTFCDOFLOPIGGS-UHFFFAOYSA-N
PXKLMJQFEQBVLD-UHFFFAOYSA-N
[Zn+2]
Oc1ccc(Cc2ccc(O)cc2)cc1
["carcinogens_v2","comet assay","% tail DNA","__unknown__","Alkaline comet assay (% tail DNA)","L4"]
["carcinogens_v2","comet assay","% tail DNA","__unknown__","Alkaline comet assay (% tail DNA)","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=Alkaline comet assay (% tail DNA)", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=40", "dose_unit=µg/cm2", "endpoint_detail=% tail DNA in alkaline comet assay (quantitative)", "endpoint_name=comet", "entity_name=ZnO", "exposure_timing=4 h exposure", "t...
[ "canonical_assay_context=Alkaline comet assay (% tail DNA)", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=10", "dose_unit=ug/mL", "endpoint_detail=Percent DNA in comet tail (DNA SSBs and DSBs), alkaline comet version", "endpoint_name=comet", "entity_name=Bisphenol F", "exposure...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
12
5.11
6.89
19.626588
{ "nontransfer": 0.3800217145316509, "transfer": 0.6199782854683491 }
["carcinogens_v2","comet assay","% tail DNA","__unknown__","Alkaline comet assay (% tail DNA)","L4"]
L4
continuous
{ "calibration_sha256": "f3dd0fee05ce70816b449a0f900efce7f2a35db53faecc8350cad75feb598e8f", "groups": { "assay_concept": "L4", "measurement_kind": "continuous", "query_condition_group": "[\"carcinogens_v2\",\"comet assay\",\"% tail DNA\",\"__unknown__\",\"Alkaline comet assay (% tail DNA)\",\"L4\"]", ...
6.89
0.351054
0.619978
19.626588
0.619978
0.380022
safety_canonical_v27
1
true
0
-1
-1
-1
indirect_record
["carcinogens_v2","comet assay","% tail DNA","__unknown__","Alkaline comet assay (% tail DNA)","L4"]
PTFCDOFLOPIGGS-UHFFFAOYSA-N
PXKLMJQFEQBVLD-UHFFFAOYSA-N
parent:PTFCDOFLOPIGGS-UHFFFAOYSA-N
c1ccc(Cc2ccccc2)cc1
{ "aggregation_method": "individual_record", "display_measurement_text": "12", "display_unit_text": "% tail DNA", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 12, "aggregate_max": 12, "aggregate_q1": 12, "aggregate_...
{ "aggregation_method": "individual_record", "display_measurement_text": "5.11", "display_unit_text": "% tail DNA", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 5.11, "aggregate_max": 5.11, "aggregate_q1": 5.11, "ag...
147
139
62
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"Alkaline comet assay (% tail DNA)","canonical_measurement_scale_id":"__unknown__","confidence":0.85,"dose_or_concentration":"40","dose_unit":"\u00b5g/cm2","endpoint_detail":"% tail DNA in alkaline comet assay (quantitative)","endpoint_name":"comet","entity_name":"ZnO","exposure_timing":"4 h ...
{"canonical_assay_context":"Alkaline comet assay (% tail DNA)","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"10","dose_unit":"ug/mL","endpoint_detail":"Percent DNA in comet tail (DNA SSBs and DSBs), alkaline comet version","endpoint_name":"comet","entity_name":"Bisphenol F","e...
L4
gold_v1
sr_ea48ee7655c34495871f970c5490070a
sr_b1180f1be2014cf5aaa59b37b4433c6d
["carcinogens_v2","comet assay","% tail DNA","__unknown__","Alkaline comet assay (% tail DNA)"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>C[C@H](NN=[N+]=[N-])C(=O)O</SMILES> - Canonical assay context: in vitro SCE frequency per metaphase - Canonical measurement scale id: __unknown__ - Dose or concentration: 5.00 -...
(A)
train
4a66817d0a61f7f142db4af3bdfd9488c1b044f4535c511b510ceadac4e96eb8
-1
null
-1
null
null
null
carcinogens
carcinogens_v2
limited_balanced_parent_morgan_first.v28_safety
carcinogens:7036d77b931f5704444272bab0497ad151cc58bda541b5a560a6ae549fc497e1
carcinogens:b2747592ae7bc23944843b44a6a025c7440610857bde4663147a82b6b52d38c1
carcinogens:7036d77b931f5704444272bab0497ad151cc58bda541b5a560a6ae549fc497e1
carcinogens:b2747592ae7bc23944843b44a6a025c7440610857bde4663147a82b6b52d38c1
SHGAZHPCJJPHSC-YCNIQYBTSA-N
KRCVJTNGGWBYEW-REOHCLBHSA-N
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1
C[C@H](NN=[N+]=[N-])C(=O)O
["carcinogens_v2","sister chromatid exchange","SCE/metaphase","__unknown__","in vitro SCE frequency per metaphase","L4"]
["carcinogens_v2","sister chromatid exchange","SCE/metaphase","__unknown__","in vitro SCE frequency per metaphase","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=in vitro SCE frequency per metaphase", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=up to ~12 (dose series given at abscissa)", "dose_unit=ug/mL", "endpoint_detail=sister chromatid exchanges per metaphase (dose-related induction, measured at concentrations in...
[ "canonical_assay_context=in vitro SCE frequency per metaphase", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=5.00", "dose_unit=mM", "endpoint_detail=SCE per metaphase (mean ± SE)", "endpoint_name=sister_chromatid_exchange", "entity_name=2-azido-L-alanine", "exposure_timing=in v...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
14
17.23
3.23
15.22144
{ "nontransfer": 0.13261955076107712, "transfer": 0.8673804492389229 }
["carcinogens_v2","sister chromatid exchange","SCE/metaphase","__unknown__","in vitro SCE frequency per metaphase","L4"]
L4
continuous
{ "calibration_sha256": "f3dd0fee05ce70816b449a0f900efce7f2a35db53faecc8350cad75feb598e8f", "groups": { "assay_concept": "L4", "measurement_kind": "continuous", "query_condition_group": "[\"carcinogens_v2\",\"sister chromatid exchange\",\"SCE/metaphase\",\"__unknown__\",\"in vitro SCE frequency per meta...
3.23
0.212201
0.86738
15.22144
0.86738
0.13262
safety_canonical_v27
1
true
0.089286
-1
-1
-1
indirect_record
["carcinogens_v2","sister chromatid exchange","SCE/metaphase","__unknown__","in vitro SCE frequency per metaphase","L4"]
SHGAZHPCJJPHSC-YCNIQYBTSA-N
KRCVJTNGGWBYEW-REOHCLBHSA-N
C1=CCCCC1
parent:KRCVJTNGGWBYEW-REOHCLBHSA-N
{ "aggregation_method": "individual_record", "display_measurement_text": "14", "display_unit_text": "SCE/metaphase", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 14, "aggregate_max": 14, "aggregate_q1": 14, "aggrega...
{ "aggregation_method": "individual_record", "display_measurement_text": "17.23", "display_unit_text": "SCE/metaphase", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 17.23, "aggregate_max": 17.23, "aggregate_q1": 17.23...
49
42
15
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"in vitro SCE frequency per metaphase","canonical_measurement_scale_id":"__unknown__","confidence":0.75,"dose_or_concentration":"up to ~12 (dose series given at abscissa)","dose_unit":"ug/mL","endpoint_detail":"sister chromatid exchanges per metaphase (dose-related induction, measured at conc...
{"canonical_assay_context":"in vitro SCE frequency per metaphase","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"5.00","dose_unit":"mM","endpoint_detail":"SCE per metaphase (mean \u00b1 SE)","endpoint_name":"sister_chromatid_exchange","entity_name":"2-azido-L-alanine","exposure...
L4
gold_v1
sr_eceeaac739d7428aaf700ca8f90b3740
sr_9a9a9d30ff1a4cde83b8a105632f24c1
["carcinogens_v2","sister chromatid exchange","SCE/metaphase","__unknown__","in vitro SCE frequency per metaphase"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>c1csc(C2(N3CCCCC3)CCCCC2)c1</SMILES> - Canonical assay context: alkaline comet assay: tail length - Canonical measurement scale id: __unknown__ - Dose or concentration: 400 - Do...
(B)
train
b63135586136e5238d2ebf0839b4ff5a469226d2b32327874bef95a836c0d56f
-1
null
-1
null
null
null
carcinogens
carcinogens_v2
limited_balanced_parent_morgan_first.v28_safety
carcinogens:385b11a8ef734a85ca9e09f542fb009df513d0543189e0172480ee67c606c7ac
carcinogens:772be74098f347db29839274cfa35d89b0b4781b20eb2728ac36ee4630e55d12
carcinogens:385b11a8ef734a85ca9e09f542fb009df513d0543189e0172480ee67c606c7ac
carcinogens:772be74098f347db29839274cfa35d89b0b4781b20eb2728ac36ee4630e55d12
INFDPOAKFNIJBF-UHFFFAOYSA-N
JUZZEWSCNBCFRL-UHFFFAOYSA-N
C[n+]1ccc(-c2cc[n+](C)cc2)cc1
c1csc(C2(N3CCCCC3)CCCCC2)c1
["carcinogens_v2","comet assay","\u00b5m","__unknown__","alkaline comet assay: tail length","L4"]
["carcinogens_v2","comet assay","\u00b5m","__unknown__","alkaline comet assay: tail length","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=alkaline comet assay: tail length", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=10", "dose_unit=mM", "endpoint_detail=Mean comet tail length (CTL) in µm; DNA single-strand breaks detected by alkaline microgel electrophoresis (alkaline comet assay)", "endpo...
[ "canonical_assay_context=alkaline comet assay: tail length", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=400", "dose_unit=µM", "endpoint_detail=alkaline comet assay: tail length", "endpoint_name=comet", "entity_name=TCP", "exposure_timing=in vitro exposure for 3 days, then com...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
21.2
104.34
83.14
32.653788
{ "nontransfer": 0.9999999995218317, "transfer": 4.781682322678911e-10 }
["carcinogens_v2","comet assay","\u00b5m","__unknown__","alkaline comet assay: tail length","L4"]
L4
continuous
{ "calibration_sha256": "f3dd0fee05ce70816b449a0f900efce7f2a35db53faecc8350cad75feb598e8f", "groups": { "assay_concept": "L4", "measurement_kind": "continuous", "query_condition_group": "[\"carcinogens_v2\",\"comet assay\",\"\\u00b5m\",\"__unknown__\",\"alkaline comet assay: tail length\",\"L4\"]", ...
83.14
2.546106
0
32.653788
0
1
safety_canonical_v27
0
true
0.108108
-1
-1
-1
indirect_record
["carcinogens_v2","comet assay","\u00b5m","__unknown__","alkaline comet assay: tail length","L4"]
INFDPOAKFNIJBF-UHFFFAOYSA-N
JUZZEWSCNBCFRL-UHFFFAOYSA-N
c1cc(-c2cc[nH+]cc2)cc[nH+]1
c1csc(C2(N3CCCCC3)CCCCC2)c1
{ "aggregation_method": "individual_record", "display_measurement_text": "21.2", "display_unit_text": "µm", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 21.2, "aggregate_max": 21.2, "aggregate_q1": 21.2, "aggregate_...
{ "aggregation_method": "individual_record", "display_measurement_text": "104.34", "display_unit_text": "µm", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 104.34, "aggregate_max": 104.34, "aggregate_q1": 104.34, "ag...
53
28
14
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"alkaline comet assay: tail length","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"10","dose_unit":"mM","endpoint_detail":"Mean comet tail length (CTL) in \u00b5m; DNA single-strand breaks detected by alkaline microgel electrophoresis (alkaline comet ...
{"canonical_assay_context":"alkaline comet assay: tail length","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"400","dose_unit":"\u00b5M","endpoint_detail":"alkaline comet assay: tail length","endpoint_name":"comet","entity_name":"TCP","exposure_timing":"in vitro exposure for 3 ...
L4
gold_v1
sr_b2a942c498554d2cbc26f734212b1716
sr_644245c7cf634c78ab889838378b72b7
["carcinogens_v2","comet assay","µm","__unknown__","alkaline comet assay: tail length"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>Cc1c(N)cccc1N</SMILES> - Canonical assay context: Salmonella typhimurium TA98 His+ reverse mutation (frameshift), per plate, plate incorporation, +S9 - Canonical measurement sca...
(B)
train
b503b29d1cb8f112283dc882222f179524aa264db715abc7815f861a2ba91a5f
-1
null
-1
null
null
null
carcinogens
carcinogens_v2
limited_balanced_parent_morgan_first.v28_safety
carcinogens:c7a9384dc89337b0646b857e971eb92f90e93d3e9579336f346192550e0eb19e
carcinogens:7ad34c358d5f703f27feaca2ca079c191784f5b27a4cceda85ecce93b3be0fa4
carcinogens:c7a9384dc89337b0646b857e971eb92f90e93d3e9579336f346192550e0eb19e
carcinogens:7ad34c358d5f703f27feaca2ca079c191784f5b27a4cceda85ecce93b3be0fa4
FMMWHPNWAFZXNH-UHFFFAOYSA-N
RLYCRLGLCUXUPO-UHFFFAOYSA-N
c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34
Cc1c(N)cccc1N
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","Salmonella typhimurium TA98 His+ reverse mutation (frameshift), per plate, plate incorporation, +S9","L4"]
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","Salmonella typhimurium TA98 His+ reverse mutation (frameshift), per plate, plate incorporation, +S9","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=Salmonella typhimurium TA98 His+ reverse mutation (frameshift), per plate, plate incorporation, +S9", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=250", "dose_unit=uM", "endpoint_detail=His+ revertants per plate", "endpoint_name=bacterial_reverse_mutation",...
[ "canonical_assay_context=Salmonella typhimurium TA98 His+ reverse mutation (frameshift), per plate, plate incorporation, +S9", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=1000", "dose_unit=ug/plate", "endpoint_detail=His+ revertants per plate", "endpoint_name=bacterial_reverse_mut...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
138.5
830.2
691.7
611.949791
{ "nontransfer": 0.9993270826507774, "transfer": 0.0006729173492225697 }
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","Salmonella typhimurium TA98 His+ reverse mutation (frameshift), per plate, plate incorporation, +S9","L4"]
L4
continuous
{ "calibration_sha256": "f3dd0fee05ce70816b449a0f900efce7f2a35db53faecc8350cad75feb598e8f", "groups": { "assay_concept": "L4", "measurement_kind": "continuous", "query_condition_group": "[\"carcinogens_v2\",\"bacterial reverse mutation\",\"revertants/plate\",\"__unknown__\",\"Salmonella typhimurium TA98...
691.7
1.130321
0.000673
611.949791
0.000673
0.999327
safety_canonical_v27
0
true
0.16129
-1
-1
-1
indirect_record
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","Salmonella typhimurium TA98 His+ reverse mutation (frameshift), per plate, plate incorporation, +S9","L4"]
FMMWHPNWAFZXNH-UHFFFAOYSA-N
RLYCRLGLCUXUPO-UHFFFAOYSA-N
c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34
c1ccccc1
{ "aggregation_method": "individual_record", "display_measurement_text": "138.5", "display_unit_text": "revertants/plate", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 138.5, "aggregate_max": 138.5, "aggregate_q1": 13...
{ "aggregation_method": "individual_record", "display_measurement_text": "830.2", "display_unit_text": "revertants/plate", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 830.2, "aggregate_max": 830.2, "aggregate_q1": 83...
99
89
28
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"Salmonella typhimurium TA98 His+ reverse mutation (frameshift), per plate, plate incorporation, +S9","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"250","dose_unit":"uM","endpoint_detail":"His+ revertants per plate","endpoint_name":"bacterial_reverse...
{"canonical_assay_context":"Salmonella typhimurium TA98 His+ reverse mutation (frameshift), per plate, plate incorporation, +S9","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"1000","dose_unit":"ug/plate","endpoint_detail":"His+ revertants per plate","endpoint_name":"bacterial_...
L4
gold_v1
sr_74f24239489e49af893e78c51d0ca6f1
sr_050531efd26a4d0eb9d3326d8a43f557
["carcinogens_v2","bacterial reverse mutation","revertants/plate","__unknown__","Salmonella typhimurium TA98 His+ reverse mutation (frameshift), per plate, plate incorporation, +S9"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>COc1ccc(C=CC(=O)c2ccc3ccccc3c2)c(OC)c1</SMILES> - Canonical assay context: comet assay (tail moment) - Canonical measurement scale id: __unknown__ - Endpoint detail: Tail moment...
(B)
train
bb9f5cc385cc96fa38f6e8fb0c88e0b8604f3fc8946373622c88a37be20d27fb
-1
null
-1
null
null
null
carcinogens
carcinogens_v2
limited_balanced_parent_morgan_first.v28_safety
carcinogens:e7e8b881df2022eeb3b6095dd2edaa99366156b5ce6db97bf6bc4debb6cd28a3
carcinogens:575d3b8c82bef3a511f3df212784e5c4096d26dc53773937423175955ba583eb
carcinogens:e7e8b881df2022eeb3b6095dd2edaa99366156b5ce6db97bf6bc4debb6cd28a3
carcinogens:575d3b8c82bef3a511f3df212784e5c4096d26dc53773937423175955ba583eb
DFJWYKPCYBFACH-UHFFFAOYSA-N
UIXJSDNRCFIWPM-UHFFFAOYSA-N
[Cr+7]
COc1ccc(C=CC(=O)c2ccc3ccccc3c2)c(OC)c1
["carcinogens_v2","comet assay","tail moment units","__unknown__","comet assay (tail moment)","L4"]
["carcinogens_v2","comet assay","tail moment units","__unknown__","comet assay (tail moment)","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=comet assay (tail moment)", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=0.1", "dose_unit=M", "endpoint_detail=comet tail moment (X ± S.E., n=150 nuclei)", "endpoint_name=comet", "entity_name=potassium dichromate", "test_system=plant bioassay; Allium ce...
[ "canonical_assay_context=comet assay (tail moment)", "canonical_measurement_scale_id=__unknown__", "endpoint_detail=Tail moment", "endpoint_name=comet", "entity_name=3d", "unit_text=tail moment units" ]
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
39.8
80.6
40.8
34.762091
{ "nontransfer": 0.9995637782513396, "transfer": 0.00043622174866045225 }
["carcinogens_v2","comet assay","tail moment units","__unknown__","comet assay (tail moment)","L4"]
L4
continuous
{ "calibration_sha256": "f3dd0fee05ce70816b449a0f900efce7f2a35db53faecc8350cad75feb598e8f", "groups": { "assay_concept": "L4", "measurement_kind": "continuous", "query_condition_group": "[\"carcinogens_v2\",\"comet assay\",\"tail moment units\",\"__unknown__\",\"comet assay (tail moment)\",\"L4\"]", ...
40.8
1.173692
0.000436
34.762091
0.000436
0.999564
safety_canonical_v27
0
true
0
-1
-1
-1
indirect_record
["carcinogens_v2","comet assay","tail moment units","__unknown__","comet assay (tail moment)","L4"]
DFJWYKPCYBFACH-UHFFFAOYSA-N
UIXJSDNRCFIWPM-UHFFFAOYSA-N
parent:DFJWYKPCYBFACH-UHFFFAOYSA-N
O=C(C=Cc1ccccc1)c1ccc2ccccc2c1
{ "aggregation_method": "individual_record", "display_measurement_text": "39.8", "display_unit_text": "tail moment units", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 39.8, "aggregate_max": 39.8, "aggregate_q1": 39.8...
{ "aggregation_method": "individual_record", "display_measurement_text": "80.6", "display_unit_text": "tail moment units", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 80.6, "aggregate_max": 80.6, "aggregate_q1": 80.6...
45
45
18
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"comet assay (tail moment)","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"0.1","dose_unit":"M","endpoint_detail":"comet tail moment (X \u00b1 S.E., n=150 nuclei)","endpoint_name":"comet","entity_name":"potassium dichromate","exposure_timing":null,"ex...
{"canonical_assay_context":"comet assay (tail moment)","canonical_measurement_scale_id":"__unknown__","confidence":0.75,"dose_or_concentration":null,"dose_unit":null,"endpoint_detail":"Tail moment","endpoint_name":"comet","entity_name":"3d","exposure_timing":null,"extra_details":"Comet assay; control 3.24\u00b10.65. Do...
L4
gold_v1
sr_c2e1fda66d5e451bb6fff8ca561cd63c
sr_0b11904c78994f259a2fe9f3f341ed20
["carcinogens_v2","comet assay","tail moment units","__unknown__","comet assay (tail moment)"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>COc1cccc(C2(O)CCCCC2CN(C)C)c1</SMILES> - Canonical assay context: comet assay % tail DNA - Canonical measurement scale id: __unknown__ - Dose or concentration: 75 - Dose unit: m...
(A)
train
cf50a75247e89b75933d7ba933dd21fe8a8edc42df1d2e0b75074d3836e966fc
-1
null
-1
null
null
null
carcinogens
carcinogens_v2
limited_balanced_parent_morgan_first.v28_safety
carcinogens:ae948d53d71e9e3429bbe01696d681544922848c3184ab21cf99000341ea5548
carcinogens:28b5dfaf2583ca2ab89483e15bae3e93e6bbc5571c0e2c4f76166b3eabc89a62
carcinogens:ae948d53d71e9e3429bbe01696d681544922848c3184ab21cf99000341ea5548
carcinogens:28b5dfaf2583ca2ab89483e15bae3e93e6bbc5571c0e2c4f76166b3eabc89a62
SBPBAQFWLVIOKP-UHFFFAOYSA-N
TVYLLZQTGLZFBW-UHFFFAOYSA-N
CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
COc1cccc(C2(O)CCCCC2CN(C)C)c1
["carcinogens_v2","comet assay","% tail DNA","__unknown__","comet assay % tail DNA","L4"]
["carcinogens_v2","comet assay","% tail DNA","__unknown__","comet assay % tail DNA","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=comet assay % tail DNA", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=609", "dose_unit=µg/L", "endpoint_detail=DNA damage measured as % tail DNA in lymphocytes (comet assay)", "endpoint_name=comet", "entity_name=Chlorpyrifos", "exposure_timing=static wa...
[ "canonical_assay_context=comet assay % tail DNA", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=75", "dose_unit=mg/kg", "endpoint_detail=Tail DNA (% , comet parameter), DNA strand-break/migration extent, scored by Casplab image analysis at 40×, 50 cells/slide", "endpoint_name=comet"...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
15.15
21.31
6.16
21.096227
{ "nontransfer": 0.25349719342135313, "transfer": 0.7465028065786469 }
["carcinogens_v2","comet assay","% tail DNA","__unknown__","comet assay % tail DNA","L4"]
L4
continuous
{ "calibration_sha256": "f3dd0fee05ce70816b449a0f900efce7f2a35db53faecc8350cad75feb598e8f", "groups": { "assay_concept": "L4", "measurement_kind": "continuous", "query_condition_group": "[\"carcinogens_v2\",\"comet assay\",\"% tail DNA\",\"__unknown__\",\"comet assay % tail DNA\",\"L4\"]", "query_co...
6.16
0.291995
0.746503
21.096227
0.746503
0.253497
safety_canonical_v27
1
true
0.107692
-1
-1
-1
indirect_record
["carcinogens_v2","comet assay","% tail DNA","__unknown__","comet assay % tail DNA","L4"]
SBPBAQFWLVIOKP-UHFFFAOYSA-N
TVYLLZQTGLZFBW-UHFFFAOYSA-N
c1ccncc1
c1ccc(C2CCCCC2)cc1
{ "aggregation_method": "individual_record", "display_measurement_text": "15.15", "display_unit_text": "% tail DNA", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 15.15, "aggregate_max": 15.15, "aggregate_q1": 15.15, ...
{ "aggregation_method": "individual_record", "display_measurement_text": "21.31", "display_unit_text": "% tail DNA", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 21.31, "aggregate_max": 21.31, "aggregate_q1": 21.31, ...
233
223
93
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"comet assay % tail DNA","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"609","dose_unit":"\u00b5g/L","endpoint_detail":"DNA damage measured as % tail DNA in lymphocytes (comet assay)","endpoint_name":"comet","entity_name":"Chlorpyrifos","exposure_timi...
{"canonical_assay_context":"comet assay % tail DNA","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"75","dose_unit":"mg/kg","endpoint_detail":"Tail DNA (% , comet parameter), DNA strand-break/migration extent, scored by Casplab image analysis at 40\u00d7, 50 cells/slide","endpoi...
L4
gold_v1
sr_f38da0db343f4e6ab076aa64cfe008f8
sr_009930627a454531adecba11e24e2c76
["carcinogens_v2","comet assay","% tail DNA","__unknown__","comet assay % tail DNA"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>Cc1ccc(C(C)C)cc1O</SMILES> - Canonical assay context: Sister chromatid exchange per cell in human peripheral blood lymphocytes in vitro - Canonical measurement scale id: __unkno...
(B)
train
1f8ec7cfce815ec66439fe673c323cbc699209f0dde4d6767fa1e3c4eda08601
-1
null
-1
null
null
null
carcinogens
carcinogens_v2
limited_balanced_parent_morgan_first.v28_safety
carcinogens:40534b5c3274de5ff57541e597d5f9a5dffdc328bcd2caa18939979a931eba8c
carcinogens:d9c96b93aca1fe0c54b5e9b28aa7c03bea1501940ed0fd5c3b56ee6d87e3e9f7
carcinogens:40534b5c3274de5ff57541e597d5f9a5dffdc328bcd2caa18939979a931eba8c
carcinogens:d9c96b93aca1fe0c54b5e9b28aa7c03bea1501940ed0fd5c3b56ee6d87e3e9f7
MGSRCZKZVOBKFT-UHFFFAOYSA-N
RECUKUPTGUEGMW-UHFFFAOYSA-N
Cc1ccc(C(C)C)c(O)c1
Cc1ccc(C(C)C)cc1O
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","Sister chromatid exchange per cell in human peripheral blood lymphocytes in vitro","L4"]
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","Sister chromatid exchange per cell in human peripheral blood lymphocytes in vitro","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "canonical_assay_context=Sister chromatid exchange per cell in human peripheral blood lymphocytes in vitro", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=25", "dose_unit=µg/ml", "endpoint_detail=Sister chromatid exchange per cell (SCE/cell)", "endpoint_name=sister_chromatid_exchang...
[ "canonical_assay_context=Sister chromatid exchange per cell in human peripheral blood lymphocytes in vitro", "canonical_measurement_scale_id=__unknown__", "dose_or_concentration=0.1", "dose_unit=µl/ml (v/v)", "endpoint_detail=sister chromatid exchanges per cell, scored in 50 well-spread metaphases (25 per d...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
10.78
3.18
7.6
10.708403
{ "nontransfer": 0.9567783438513132, "transfer": 0.043221656148686824 }
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","Sister chromatid exchange per cell in human peripheral blood lymphocytes in vitro","L4"]
L4
continuous
{ "calibration_sha256": "f3dd0fee05ce70816b449a0f900efce7f2a35db53faecc8350cad75feb598e8f", "groups": { "assay_concept": "L4", "measurement_kind": "continuous", "query_condition_group": "[\"carcinogens_v2\",\"sister chromatid exchange\",\"SCE/cell\",\"__unknown__\",\"Sister chromatid exchange per cell i...
7.6
0.709723
0.043222
10.708403
0.043222
0.956778
safety_canonical_v27
0
true
0.4
-1
-1
-1
indirect_record
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","Sister chromatid exchange per cell in human peripheral blood lymphocytes in vitro","L4"]
MGSRCZKZVOBKFT-UHFFFAOYSA-N
RECUKUPTGUEGMW-UHFFFAOYSA-N
c1ccccc1
c1ccccc1
{ "aggregation_method": "individual_record", "display_measurement_text": "10.78", "display_unit_text": "SCE/cell", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 10.78, "aggregate_max": 10.78, "aggregate_q1": 10.78, "...
{ "aggregation_method": "individual_record", "display_measurement_text": "3.18", "display_unit_text": "SCE/cell", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 3.18, "aggregate_max": 3.18, "aggregate_q1": 3.18, "aggr...
162
152
46
id
train_exact_bucket.v27_safety
identity
{"canonical_assay_context":"Sister chromatid exchange per cell in human peripheral blood lymphocytes in vitro","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"25","dose_unit":"\u00b5g/ml","endpoint_detail":"Sister chromatid exchange per cell (SCE/cell)","endpoint_name":"sister_c...
{"canonical_assay_context":"Sister chromatid exchange per cell in human peripheral blood lymphocytes in vitro","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"dose_or_concentration":"0.1","dose_unit":"\u00b5l/ml (v/v)","endpoint_detail":"sister chromatid exchanges per cell, scored in 50 well-spread met...
L4
gold_v1
sr_aa38745b87d446e9959195b35391638d
sr_1fd66509ab3e495dbd1555ff7fe42e29
["carcinogens_v2","sister chromatid exchange","SCE/cell","__unknown__","Sister chromatid exchange per cell in human peripheral blood lymphocytes in vitro"]
End of preview. Expand in Data Studio

Carcinogens record-level V27 L4

This level-specific release uses current V10 physical evidence, the active Gold-owned level mapping, and Gold-v1 parent-disjoint evaluation. Undefined variance ratios are allowed; defined ratios above 0.65 are excluded. Prompts display canonical Stage-3 measurement and unit pairs.

Rows: {'train': 14618, 'validation_ranking': 12796, 'test_ranking': 6771}

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