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int64
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task_id
string
source_id
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retrieval_molecule_identity_key
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query_smiles
string
retrieval_smiles
string
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string
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list
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int64
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float64
retrieval_agreement_fraction
float64
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int64
retrieval_gold_Y
int64
ranking_balance_label
string
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float64
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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
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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=C(O)c1cccc(O)c1O</SMILES> - Assay version: immunoblot of phosphospecific antisera to ATM (Ser1981), p53 (Ser15), SMC1 (Ser957), Chk2 (Thr68) with densitometry - Biological sys...
(A)
train
0d0ec1be454d7bef28f710331a342cc88ebe14f5aafc122be4f700900293bfd8
-1
null
-1
null
null
null
ames
premutagenic_damage
limited_balanced_parent_morgan_first.v28_safety
ames:300a0d68de5823a8e1e08ac95276bd3c3c27ad18dddb65948895f6a74f32c342
ames:00a5a4dee84e2076d909fdba1cafead38beee6f20095853100ff8c686c8b8ecb
ames:300a0d68de5823a8e1e08ac95276bd3c3c27ad18dddb65948895f6a74f32c342
ames:00a5a4dee84e2076d909fdba1cafead38beee6f20095853100ff8c686c8b8ecb
AKEUNCKRJATALU-UHFFFAOYSA-N
GLDQAMYCGOIJDV-UHFFFAOYSA-N
O=C(O)c1c(O)cccc1O
O=C(O)c1cccc(O)c1O
["premutagenic_damage","other_ddr_reporter_or_panel","signed_effect_direction","ames_damage_direction.v1","DDR phosphoprotein immunoblot","L4"]
["premutagenic_damage","other_ddr_reporter_or_panel","signed_effect_direction","ames_damage_direction.v1","DDR phosphoprotein immunoblot","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "assay_version=immunoblot of phosphospecific antisera to ATM (Ser1981), p53 (Ser15), SMC1 (Ser957), Chk2 (Thr68) with densitometry", "biological_system=in vitro cells | Homo sapiens | MCF-7", "canonical_assay_context=DDR phosphoprotein immunoblot", "canonical_measurement_scale_id=ames_damage_direction.v1", ...
[ "assay_version=immunoblot of phosphospecific antisera to ATM (Ser1981), p53 (Ser15), SMC1 (Ser957), Chk2 (Thr68) with densitometry", "biological_system=in vitro cells | Homo sapiens | MCF-7", "canonical_assay_context=DDR phosphoprotein immunoblot", "canonical_measurement_scale_id=ames_damage_direction.v1", ...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
0
0
0
0.908505
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["premutagenic_damage","other_ddr_reporter_or_panel","signed_effect_direction","ames_damage_direction.v1","DDR phosphoprotein immunoblot","L4"]
L4
ordinal
{ "calibration_sha256": "cda42c40187d956b35ca08a07df64c8513da784050e7d10bfde7c2c73e64b065", "groups": { "assay_concept": "L4", "measurement_kind": "ordinal", "query_condition_group": "[\"premutagenic_damage\",\"other_ddr_reporter_or_panel\",\"signed_effect_direction\",\"ames_damage_direction.v1\",\"DDR ...
0
0
0.982014
0.908505
0.982014
0.017986
safety_canonical_v27
1
true
0.541667
-1
-1
-1
indirect_record
["premutagenic_damage","other_ddr_reporter_or_panel","signed_effect_direction","ames_damage_direction.v1","DDR phosphoprotein immunoblot","L4"]
AKEUNCKRJATALU-UHFFFAOYSA-N
GLDQAMYCGOIJDV-UHFFFAOYSA-N
c1ccccc1
c1ccccc1
{ "aggregation_method": "individual_record", "display_measurement_text": "-1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 0, "aggregate_max": 0, "aggregate_q1": 0, "...
{ "aggregation_method": "individual_record", "display_measurement_text": "-1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 0, "aggregate_max": 0, "aggregate_q1": 0, "...
79
79
62
id
train_exact_bucket.v27_safety
identity
{"assay_version":"immunoblot of phosphospecific antisera to ATM (Ser1981), p53 (Ser15), SMC1 (Ser957), Chk2 (Thr68) with densitometry","biological_system":"in vitro cells | Homo sapiens | MCF-7","canonical_assay_context":"DDR phosphoprotein immunoblot","canonical_measurement_scale_id":"ames_damage_direction.v1","confid...
{"assay_version":"immunoblot of phosphospecific antisera to ATM (Ser1981), p53 (Ser15), SMC1 (Ser957), Chk2 (Thr68) with densitometry","biological_system":"in vitro cells | Homo sapiens | MCF-7","canonical_assay_context":"DDR phosphoprotein immunoblot","canonical_measurement_scale_id":"ames_damage_direction.v1","confid...
L4
gold_v1
sr_b67f5e3c49c8456087641f3cd74a49c1
sr_39ca42420c2846dcb4131f23530f13a2
["premutagenic_damage","other_ddr_reporter_or_panel","signed_effect_direction","ames_damage_direction.v1","DDR phosphoprotein immunoblot"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>C[C@]12CC[C@H]3[C@@H](CCC4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O</SMILES> - Biological system: in vivo | Canis lupus familiaris | prostate - Canonical assay context: 8-OHdG measurem...
(B)
train
8f7f27f77969ad415a451a091f9b230735b47a527fa4bbb3efdb3aa930a076f6
-1
null
-1
null
null
null
ames
premutagenic_damage
limited_balanced_parent_morgan_first.v28_safety
ames:37dc3afcf515a095f7d45a4b077f9d64e636276cf5051c756ede267d4f2f2a1f
ames:52905d75663c225858b9abdc51faef368b8b8bd95faa7fa644b79318ef8ea6db
ames:37dc3afcf515a095f7d45a4b077f9d64e636276cf5051c756ede267d4f2f2a1f
ames:52905d75663c225858b9abdc51faef368b8b8bd95faa7fa644b79318ef8ea6db
UREBDLICKHMUKA-CXSFZGCWSA-N
NVKAWKQGWWIWPM-QHDNXLQLSA-N
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
C[C@]12CC[C@H]3[C@@H](CCC4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
["premutagenic_damage","oxidized_base_measurement","signed_effect_direction","ames_damage_direction.v1","8-OHdG measurement","L4"]
["premutagenic_damage","oxidized_base_measurement","signed_effect_direction","ames_damage_direction.v1","8-OHdG measurement","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "biological_system=in vivo | Gallus gallus | plasma", "canonical_assay_context=8-OHdG measurement", "canonical_measurement_scale_id=ames_damage_direction.v1", "dose_or_concentration=2.0", "dose_unit=mg/kg body weight", "endpoint_class=extracellular_damage_or_repair_product", "endpoint_name=oxidized_base...
[ "biological_system=in vivo | Canis lupus familiaris | prostate", "canonical_assay_context=8-OHdG measurement", "canonical_measurement_scale_id=ames_damage_direction.v1", "endpoint_class=oxidized_dna_base", "endpoint_name=oxidized_base_measurement", "endpoint_subtype=8-oxo-dG (8-hydroxydeoxyguanosine)", ...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
2
0
2
0.858311
{ "nontransfer": 0.9999999958558397, "transfer": 4.1441603880850485e-9 }
["premutagenic_damage","oxidized_base_measurement","signed_effect_direction","ames_damage_direction.v1","8-OHdG measurement","L4"]
L4
ordinal
{ "calibration_sha256": "cda42c40187d956b35ca08a07df64c8513da784050e7d10bfde7c2c73e64b065", "groups": { "assay_concept": "L4", "measurement_kind": "ordinal", "query_condition_group": "[\"premutagenic_damage\",\"oxidized_base_measurement\",\"signed_effect_direction\",\"ames_damage_direction.v1\",\"8-OHdG...
2
2.330157
0
0.858311
0
1
safety_canonical_v27
0
true
0.184211
-1
-1
-1
indirect_record
["premutagenic_damage","oxidized_base_measurement","signed_effect_direction","ames_damage_direction.v1","8-OHdG measurement","L4"]
UREBDLICKHMUKA-CXSFZGCWSA-N
NVKAWKQGWWIWPM-QHDNXLQLSA-N
O=C1C=CC2C(=C1)CCC1C3CCCC3CCC21
O=C1CCC2C(CCC3C4CCCC4CCC23)C1
{ "aggregation_method": "individual_record", "display_measurement_text": "1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "a...
{ "aggregation_method": "individual_record", "display_measurement_text": "-1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 0, "aggregate_max": 0, "aggregate_q1": 0, "...
3,357
3,307
617
id
train_exact_bucket.v27_safety
identity
{"assay_version":null,"biological_system":"in vivo | Gallus gallus | plasma","canonical_assay_context":"8-OHdG measurement","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.85,"dose_or_concentration":"2.0","dose_unit":"mg/kg body weight","endpoint_class":"extracellular_damage_or_repair_product...
{"assay_version":null,"biological_system":"in vivo | Canis lupus familiaris | prostate","canonical_assay_context":"8-OHdG measurement","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.9,"dose_or_concentration":null,"dose_unit":null,"endpoint_class":"oxidized_dna_base","endpoint_name":"oxidized...
L4
gold_v1
sr_52162c2ae33741068b29f414e5431a21
sr_d14ccc9f0a5241e2aa8c81a024bbddf4
["premutagenic_damage","oxidized_base_measurement","signed_effect_direction","ames_damage_direction.v1","8-OHdG measurement"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1</SMILES> - Assay version: immunocytochemistry immunofluorescence (γH2AX) with co-localization of ~200 cells of 5 embryos per treatment - Biologic...
(B)
train
89f15270c5931d317a7d776e65791ac09a6c082c6faaff6e14b0a1d6d59baaa7
-1
null
-1
null
null
null
ames
premutagenic_damage
limited_balanced_parent_morgan_first.v28_safety
ames:ddad1f75e24013c0fa6375461fc07df60d5b214c98aae42ba9db61e4904bedba
ames:c519cd154ebd5bdc9e94dd2348dc17be78d0223fecdf2224510ae46c49a78c1c
ames:ddad1f75e24013c0fa6375461fc07df60d5b214c98aae42ba9db61e4904bedba
ames:c519cd154ebd5bdc9e94dd2348dc17be78d0223fecdf2224510ae46c49a78c1c
RZVAJINKPMORJF-UHFFFAOYSA-N
VPWNQTHUCYMVMZ-UHFFFAOYSA-N
CC(=O)Nc1ccc(O)cc1
O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1
["premutagenic_damage","gamma_h2ax_assay","signed_effect_direction","ames_damage_direction.v1","\u03b3H2AX immunostaining","L4"]
["premutagenic_damage","gamma_h2ax_assay","signed_effect_direction","ames_damage_direction.v1","\u03b3H2AX immunostaining","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "assay_version=γH2AX immunostaining (red nuclei)", "biological_system=in vitro cells | Homo sapiens | hTERT-FH-B (human fetal hepatoblast liver cells)", "canonical_assay_context=γH2AX immunostaining", "canonical_measurement_scale_id=ames_damage_direction.v1", "dose_or_concentration=7.5 (IC50)", "dose_unit...
[ "assay_version=immunocytochemistry immunofluorescence (γH2AX) with co-localization of ~200 cells of 5 embryos per treatment", "biological_system=F1 embryo (paternal germ-cell exposure) | Teleostei | blastoderm cells of 3.3 hpf embryos", "canonical_assay_context=γH2AX immunostaining", "canonical_measurement_sc...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
2
1
1
0.814744
{ "nontransfer": 0.9997449501161718, "transfer": 0.00025504988382814335 }
["premutagenic_damage","gamma_h2ax_assay","signed_effect_direction","ames_damage_direction.v1","\u03b3H2AX immunostaining","L4"]
L4
ordinal
{ "calibration_sha256": "cda42c40187d956b35ca08a07df64c8513da784050e7d10bfde7c2c73e64b065", "groups": { "assay_concept": "L4", "measurement_kind": "ordinal", "query_condition_group": "[\"premutagenic_damage\",\"gamma_h2ax_assay\",\"signed_effect_direction\",\"ames_damage_direction.v1\",\"\\u03b3H2AX imm...
1
1.22738
0.000255
0.814744
0.000255
0.999745
safety_canonical_v27
0
true
0.333333
-1
-1
-1
indirect_record
["premutagenic_damage","gamma_h2ax_assay","signed_effect_direction","ames_damage_direction.v1","\u03b3H2AX immunostaining","L4"]
RZVAJINKPMORJF-UHFFFAOYSA-N
VPWNQTHUCYMVMZ-UHFFFAOYSA-N
c1ccccc1
O=S(=O)(c1ccccc1)c1ccccc1
{ "aggregation_method": "individual_record", "display_measurement_text": "1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "a...
{ "aggregation_method": "individual_record", "display_measurement_text": "0", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 1, "aggregate_max": 1, "aggregate_q1": 1, "a...
245
240
158
id
train_exact_bucket.v27_safety
identity
{"assay_version":"\u03b3H2AX immunostaining (red nuclei)","biological_system":"in vitro cells | Homo sapiens | hTERT-FH-B (human fetal hepatoblast liver cells)","canonical_assay_context":"\u03b3H2AX immunostaining","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.7,"dose_or_concentration":"7.5...
{"assay_version":"immunocytochemistry immunofluorescence (\u03b3H2AX) with co-localization of ~200 cells of 5 embryos per treatment","biological_system":"F1 embryo (paternal germ-cell exposure) | Teleostei | blastoderm cells of 3.3 hpf embryos","canonical_assay_context":"\u03b3H2AX immunostaining","canonical_measuremen...
L4
gold_v1
sr_fd5ace57802948f3b658a5c5512a3dd9
sr_cb609ad8c68a43538aeb10d7850d19a4
["premutagenic_damage","gamma_h2ax_assay","signed_effect_direction","ames_damage_direction.v1","γH2AX immunostaining"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>CC(C)(C)OO</SMILES> - Assay version: single cell gel electrophoresis (SCGE), alkaline - Biological system: in vitro cells | Homo sapiens | AT21RM A-T lymphoblastoid cell line - ...
(A)
train
c52da86048bb4687b28796c029d69af08985341ec6d88c6c9f8aa1562a30c359
-1
null
-1
null
null
null
ames
premutagenic_damage
limited_balanced_parent_morgan_first.v28_safety
ames:956b0c24bfc66f1fdf0a904ab464fa6ad72e24aab47fa90f1f6ce76518f413ea
ames:491075c56f7b313b3c79cf69411ccac22187ae15bfe2da87955db0e6c0dd4f33
ames:956b0c24bfc66f1fdf0a904ab464fa6ad72e24aab47fa90f1f6ce76518f413ea
ames:491075c56f7b313b3c79cf69411ccac22187ae15bfe2da87955db0e6c0dd4f33
MHAJPDPJQMAIIY-UHFFFAOYSA-N
CIHOLLKRGTVIJN-UHFFFAOYSA-N
OO
CC(C)(C)OO
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","alkaline comet assay","L4"]
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","alkaline comet assay","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "assay_version=alkaline comet, TMOM (tail moment)", "biological_system=in vitro cells | endothelial cells", "canonical_assay_context=alkaline comet assay", "canonical_measurement_scale_id=ames_damage_direction.v1", "dose_or_concentration=300 µM", "dose_unit=µM", "endpoint_class=strand_break_or_alkali_la...
[ "assay_version=single cell gel electrophoresis (SCGE), alkaline", "biological_system=in vitro cells | Homo sapiens | AT21RM A-T lymphoblastoid cell line", "canonical_assay_context=alkaline comet assay", "canonical_measurement_scale_id=ames_damage_direction.v1", "endpoint_class=strand_break_or_alkali_labile_...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
2
2
0
0.786901
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","alkaline comet assay","L4"]
L4
ordinal
{ "calibration_sha256": "cda42c40187d956b35ca08a07df64c8513da784050e7d10bfde7c2c73e64b065", "groups": { "assay_concept": "L4", "measurement_kind": "ordinal", "query_condition_group": "[\"premutagenic_damage\",\"comet_assay\",\"signed_effect_direction\",\"ames_damage_direction.v1\",\"alkaline comet assay...
0
0
0.982014
0.786901
0.982014
0.017986
safety_canonical_v27
1
true
0.1
-1
-1
-1
indirect_record
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","alkaline comet assay","L4"]
MHAJPDPJQMAIIY-UHFFFAOYSA-N
CIHOLLKRGTVIJN-UHFFFAOYSA-N
parent:MHAJPDPJQMAIIY-UHFFFAOYSA-N
parent:CIHOLLKRGTVIJN-UHFFFAOYSA-N
{ "aggregation_method": "individual_record", "display_measurement_text": "1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "a...
{ "aggregation_method": "individual_record", "display_measurement_text": "1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "a...
1,181
1,126
563
id
train_exact_bucket.v27_safety
identity
{"assay_version":"alkaline comet, TMOM (tail moment)","biological_system":"in vitro cells | endothelial cells","canonical_assay_context":"alkaline comet assay","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.6,"dose_or_concentration":"300 \u00b5M","dose_unit":"\u00b5M","endpoint_class":"stran...
{"assay_version":"single cell gel electrophoresis (SCGE), alkaline","biological_system":"in vitro cells | Homo sapiens | AT21RM A-T lymphoblastoid cell line","canonical_assay_context":"alkaline comet assay","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.9,"dose_or_concentration":null,"dose_u...
L4
gold_v1
sr_522dcc416c2745419b58bf16ed09bd16
sr_0c148d89b4d5433fb12e6bd274ae9d89
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","alkaline comet assay"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>CC(=O)N[C@@H](CS)C(=O)O</SMILES> - Assay version: γ-H2AX foci counting by fluorescence microscopy - Biological system: in vitro cells | Homo sapiens | peripheral blood lymphocyt...
(B)
train
62eb9eeab4d4302aa63fd7a367a0ee8e5d0b679931a3c250a3ea3f24a90347e8
-1
null
-1
null
null
null
ames
premutagenic_damage
limited_balanced_parent_morgan_first.v28_safety
ames:fa81202f72acaebc702c1750e69308c873fc1374967cfc7c47153a02c4dcd02c
ames:a113a0b5e08f4342f02f0affc9fbb0d5d5baa6996ac16dae58f96617a1808db6
ames:fa81202f72acaebc702c1750e69308c873fc1374967cfc7c47153a02c4dcd02c
ames:a113a0b5e08f4342f02f0affc9fbb0d5d5baa6996ac16dae58f96617a1808db6
WOBHKFSMXKNTIM-UHFFFAOYSA-N
PWKSKIMOESPYIA-BYPYZUCNSA-N
C=C(C)C(=O)OCCO
CC(=O)N[C@@H](CS)C(=O)O
["premutagenic_damage","gamma_h2ax_assay","signed_effect_direction","ames_damage_direction.v1","gamma-H2AX foci by immunofluorescence","L4"]
["premutagenic_damage","gamma_h2ax_assay","signed_effect_direction","ames_damage_direction.v1","gamma-H2AX foci by immunofluorescence","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "assay_version=γ-H2AX foci immunofluorescence (DSB marker)", "biological_system=in vitro cells | Homo sapiens | HGF (human gingival fibroblasts)", "canonical_assay_context=gamma-H2AX foci by immunofluorescence", "canonical_measurement_scale_id=ames_damage_direction.v1", "dose_or_concentration=1.12; 3.7; 11....
[ "assay_version=γ-H2AX foci counting by fluorescence microscopy", "biological_system=in vitro cells | Homo sapiens | peripheral blood lymphocytes", "canonical_assay_context=gamma-H2AX foci by immunofluorescence", "canonical_measurement_scale_id=ames_damage_direction.v1", "endpoint_class=dna_damage_response_s...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
2
0
2
0.780598
{ "nontransfer": 0.9999999995926689, "transfer": 4.0733103038077803e-10 }
["premutagenic_damage","gamma_h2ax_assay","signed_effect_direction","ames_damage_direction.v1","gamma-H2AX foci by immunofluorescence","L4"]
L4
ordinal
{ "calibration_sha256": "cda42c40187d956b35ca08a07df64c8513da784050e7d10bfde7c2c73e64b065", "groups": { "assay_concept": "L4", "measurement_kind": "ordinal", "query_condition_group": "[\"premutagenic_damage\",\"gamma_h2ax_assay\",\"signed_effect_direction\",\"ames_damage_direction.v1\",\"gamma-H2AX foci...
2
2.562139
0
0.780598
0
1
safety_canonical_v27
0
true
0.171429
-1
-1
-1
indirect_record
["premutagenic_damage","gamma_h2ax_assay","signed_effect_direction","ames_damage_direction.v1","gamma-H2AX foci by immunofluorescence","L4"]
WOBHKFSMXKNTIM-UHFFFAOYSA-N
PWKSKIMOESPYIA-BYPYZUCNSA-N
parent:WOBHKFSMXKNTIM-UHFFFAOYSA-N
parent:PWKSKIMOESPYIA-BYPYZUCNSA-N
{ "aggregation_method": "individual_record", "display_measurement_text": "1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "a...
{ "aggregation_method": "individual_record", "display_measurement_text": "-1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 0, "aggregate_max": 0, "aggregate_q1": 0, "...
685
662
335
id
train_exact_bucket.v27_safety
identity
{"assay_version":"\u03b3-H2AX foci immunofluorescence (DSB marker)","biological_system":"in vitro cells | Homo sapiens | HGF (human gingival fibroblasts)","canonical_assay_context":"gamma-H2AX foci by immunofluorescence","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.8,"dose_or_concentration...
{"assay_version":"\u03b3-H2AX foci counting by fluorescence microscopy","biological_system":"in vitro cells | Homo sapiens | peripheral blood lymphocytes","canonical_assay_context":"gamma-H2AX foci by immunofluorescence","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.85,"dose_or_concentratio...
L4
gold_v1
sr_10210095a59d4bfbae7e344113402e12
sr_1dbfb77fe40842e08b7af06677d67ee8
["premutagenic_damage","gamma_h2ax_assay","signed_effect_direction","ames_damage_direction.v1","gamma-H2AX foci by immunofluorescence"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>CC(C)Cc1ccc(C(C)C(=O)O)cc1</SMILES> - Assay version: single-cell gel electrophoresis (Comet assay); endpoints % Tail DNA and olive tail moment (OTM) - Biological system: in vitr...
(B)
train
32ca987fb5485109e1d5d87cdeed55a650e97e1edfb8e16892d2f10c6a3d6369
-1
null
-1
null
null
null
ames
premutagenic_damage
limited_balanced_parent_morgan_first.v28_safety
ames:604db810ad4de0a828bc769952cbf2bf4b3dbc86e0e95781196a6feda82a9660
ames:5b52073127e6559b580054fecf6260ddddac21fb65d3d4d44638affd6a8f2c6e
ames:604db810ad4de0a828bc769952cbf2bf4b3dbc86e0e95781196a6feda82a9660
ames:5b52073127e6559b580054fecf6260ddddac21fb65d3d4d44638affd6a8f2c6e
FBOZXECLQNJBKD-ZDUSSCGKSA-N
HEFNNWSXXWATRW-UHFFFAOYSA-N
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
CC(C)Cc1ccc(C(C)C(=O)O)cc1
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","comet assay (% tail DNA, olive tail moment)","L4"]
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","comet assay (% tail DNA, olive tail moment)","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "biological_system=in vitro cells | SKOV-3 cell line", "canonical_assay_context=comet assay (% tail DNA, olive tail moment)", "canonical_measurement_scale_id=ames_damage_direction.v1", "endpoint_class=strand_break_or_alkali_labile_site", "endpoint_name=comet_assay", "endpoint_subtype=% tail DNA and Olive ...
[ "assay_version=single-cell gel electrophoresis (Comet assay); endpoints % Tail DNA and olive tail moment (OTM)", "biological_system=in vitro cells | Homo sapiens | peripheral whole blood cells", "canonical_assay_context=comet assay (% tail DNA, olive tail moment)", "canonical_measurement_scale_id=ames_damage_...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
2
1
1
0.784779
{ "nontransfer": 0.9998403608178194, "transfer": 0.00015963918218069386 }
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","comet assay (% tail DNA, olive tail moment)","L4"]
L4
ordinal
{ "calibration_sha256": "cda42c40187d956b35ca08a07df64c8513da784050e7d10bfde7c2c73e64b065", "groups": { "assay_concept": "L4", "measurement_kind": "ordinal", "query_condition_group": "[\"premutagenic_damage\",\"comet_assay\",\"signed_effect_direction\",\"ames_damage_direction.v1\",\"comet assay (% tail ...
1
1.274243
0.00016
0.784779
0.00016
0.99984
safety_canonical_v27
0
true
0.169014
-1
-1
-1
indirect_record
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","comet assay (% tail DNA, olive tail moment)","L4"]
FBOZXECLQNJBKD-ZDUSSCGKSA-N
HEFNNWSXXWATRW-UHFFFAOYSA-N
c1ccc(NCc2cnc3ncncc3n2)cc1
c1ccccc1
{ "aggregation_method": "individual_record", "display_measurement_text": "1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "a...
{ "aggregation_method": "individual_record", "display_measurement_text": "0", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 1, "aggregate_max": 1, "aggregate_q1": 1, "a...
204
193
98
id
train_exact_bucket.v27_safety
identity
{"assay_version":null,"biological_system":"in vitro cells | SKOV-3 cell line","canonical_assay_context":"comet assay (% tail DNA, olive tail moment)","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.8,"dose_or_concentration":null,"dose_unit":null,"endpoint_class":"strand_break_or_alkali_labile...
{"assay_version":"single-cell gel electrophoresis (Comet assay); endpoints % Tail DNA and olive tail moment (OTM)","biological_system":"in vitro cells | Homo sapiens | peripheral whole blood cells","canonical_assay_context":"comet assay (% tail DNA, olive tail moment)","canonical_measurement_scale_id":"ames_damage_dire...
L4
gold_v1
sr_450dab6138e54778b7d1470b2b5880ab
sr_1be3bc8d3aa24877996279faaf4e1dcf
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","comet assay (% tail DNA, olive tail moment)"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>CC(=O)O</SMILES> - Assay version: alkaline single-cell gel electrophoresis at pH >13 - Biological system: in vitro cells | Homo sapiens | peripheral blood cells (whole blood) - ...
(A)
train
93fe5fc2a60d90205c0750c985c1ab5060b94d81389bbaccb2ab7dfa696ef28b
-1
null
-1
null
null
null
ames
premutagenic_damage
limited_balanced_parent_morgan_first.v28_safety
ames:e0c7a65c1172429b99082e055f04718cb326491326471beb63821b5336f2a12a
ames:2498f04b628c58a696d08bae4f8c00cf436973417f720748683104fc6aee437d
ames:e0c7a65c1172429b99082e055f04718cb326491326471beb63821b5336f2a12a
ames:2498f04b628c58a696d08bae4f8c00cf436973417f720748683104fc6aee437d
MHAJPDPJQMAIIY-UHFFFAOYSA-N
QTBSBXVTEAMEQO-UHFFFAOYSA-N
OO
CC(=O)O
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","alkaline comet assay (tail length)","L4"]
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","alkaline comet assay (tail length)","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "assay_version=alkaline comet assay (single-cell gel electrophoresis); DNA migration length measured by fluorescence microscopy", "biological_system=in vitro cells | Tursiops truncatus | leukocytes", "canonical_assay_context=alkaline comet assay (tail length)", "canonical_measurement_scale_id=ames_damage_dire...
[ "assay_version=alkaline single-cell gel electrophoresis at pH >13", "biological_system=in vitro cells | Homo sapiens | peripheral blood cells (whole blood)", "canonical_assay_context=alkaline comet assay (tail length)", "canonical_measurement_scale_id=ames_damage_direction.v1", "dose_or_concentration=0.5, 1...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
2
2
0
0.783666
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","alkaline comet assay (tail length)","L4"]
L4
ordinal
{ "calibration_sha256": "cda42c40187d956b35ca08a07df64c8513da784050e7d10bfde7c2c73e64b065", "groups": { "assay_concept": "L4", "measurement_kind": "ordinal", "query_condition_group": "[\"premutagenic_damage\",\"comet_assay\",\"signed_effect_direction\",\"ames_damage_direction.v1\",\"alkaline comet assay...
0
0
0.982014
0.783666
0.982014
0.017986
safety_canonical_v27
1
true
0.285714
-1
-1
-1
indirect_record
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","alkaline comet assay (tail length)","L4"]
MHAJPDPJQMAIIY-UHFFFAOYSA-N
QTBSBXVTEAMEQO-UHFFFAOYSA-N
parent:MHAJPDPJQMAIIY-UHFFFAOYSA-N
parent:QTBSBXVTEAMEQO-UHFFFAOYSA-N
{ "aggregation_method": "individual_record", "display_measurement_text": "1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "a...
{ "aggregation_method": "individual_record", "display_measurement_text": "1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "a...
388
362
159
id
train_exact_bucket.v27_safety
identity
{"assay_version":"alkaline comet assay (single-cell gel electrophoresis); DNA migration length measured by fluorescence microscopy","biological_system":"in vitro cells | Tursiops truncatus | leukocytes","canonical_assay_context":"alkaline comet assay (tail length)","canonical_measurement_scale_id":"ames_damage_directio...
{"assay_version":"alkaline single-cell gel electrophoresis at pH >13","biological_system":"in vitro cells | Homo sapiens | peripheral blood cells (whole blood)","canonical_assay_context":"alkaline comet assay (tail length)","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.92,"dose_or_concentra...
L4
gold_v1
sr_ac394dac60404602b85acf37e8dbbf6c
sr_cf7dc64fff82440bad07b75b0c849527
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","alkaline comet assay (tail length)"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>COS(C)(=O)=O</SMILES> - Biological system: in vivo | salmonid | brown trout sperm - Canonical assay context: comet assay (tail DNA) - Canonical measurement scale id: ames_damage...
(A)
train
6a80cd2d8611bcc69069bd6c893f6d3effc8d572da4f21da0a4efbb9f945c05f
-1
null
-1
null
null
null
ames
premutagenic_damage
limited_balanced_parent_morgan_first.v28_safety
ames:d051720e2900c01ee4e5a5fe8a19e5aa8a8f909330058c8e7e4b074399253d01
ames:baa220716f7458bfbf31747c1565ecef6df997bd6b07be3676aaac29ed5b80f2
ames:d051720e2900c01ee4e5a5fe8a19e5aa8a8f909330058c8e7e4b074399253d01
ames:baa220716f7458bfbf31747c1565ecef6df997bd6b07be3676aaac29ed5b80f2
PLUBXMRUUVWRLT-UHFFFAOYSA-N
MBABOKRGFJTBAE-UHFFFAOYSA-N
CCOS(C)(=O)=O
COS(C)(=O)=O
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","comet assay (tail DNA)","L4"]
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","comet assay (tail DNA)","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "biological_system=whole plant exposure | Lolium perenne | leaf", "canonical_assay_context=comet assay (tail DNA)", "canonical_measurement_scale_id=ames_damage_direction.v1", "dose_or_concentration=30", "dose_unit=mM", "endpoint_class=strand_break_or_alkali_labile_site", "endpoint_name=comet_assay", "...
[ "biological_system=in vivo | salmonid | brown trout sperm", "canonical_assay_context=comet assay (tail DNA)", "canonical_measurement_scale_id=ames_damage_direction.v1", "dose_or_concentration=50", "dose_unit=mg/kg body weight", "endpoint_class=strand_break_or_alkali_labile_site", "endpoint_name=comet_as...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
2
2
0
0.65622
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","comet assay (tail DNA)","L4"]
L4
ordinal
{ "calibration_sha256": "cda42c40187d956b35ca08a07df64c8513da784050e7d10bfde7c2c73e64b065", "groups": { "assay_concept": "L4", "measurement_kind": "ordinal", "query_condition_group": "[\"premutagenic_damage\",\"comet_assay\",\"signed_effect_direction\",\"ames_damage_direction.v1\",\"comet assay (tail DN...
0
0
0.982014
0.65622
0.982014
0.017986
safety_canonical_v27
1
true
0.411765
-1
-1
-1
indirect_record
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","comet assay (tail DNA)","L4"]
PLUBXMRUUVWRLT-UHFFFAOYSA-N
MBABOKRGFJTBAE-UHFFFAOYSA-N
parent:PLUBXMRUUVWRLT-UHFFFAOYSA-N
parent:MBABOKRGFJTBAE-UHFFFAOYSA-N
{ "aggregation_method": "individual_record", "display_measurement_text": "1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "a...
{ "aggregation_method": "individual_record", "display_measurement_text": "1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "a...
196
187
115
id
train_exact_bucket.v27_safety
identity
{"assay_version":null,"biological_system":"whole plant exposure | Lolium perenne | leaf","canonical_assay_context":"comet assay (tail DNA)","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.85,"dose_or_concentration":"30","dose_unit":"mM","endpoint_class":"strand_break_or_alkali_labile_site","e...
{"assay_version":null,"biological_system":"in vivo | salmonid | brown trout sperm","canonical_assay_context":"comet assay (tail DNA)","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.9,"dose_or_concentration":"50","dose_unit":"mg/kg body weight","endpoint_class":"strand_break_or_alkali_labile_...
L4
gold_v1
sr_1043c8ae59954ca2b13b2c09504a7fe1
sr_66d88fd7f18e4f4089b1c1c44521db00
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","comet assay (tail DNA)"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2</SMILES> - Biological system: in vitro cells | Rattus norvegicus | Fao - Canonical assay context: comet assay (DNA damage) - Can...
(B)
train
1f5893ef839bf218e412697dda44be284f1e1a3852175a25908f4e3de1e28c32
-1
null
-1
null
null
null
ames
premutagenic_damage
limited_balanced_parent_morgan_first.v28_safety
ames:cfa32408950dd09eadfe47fb13623bbe428b2ec9ae6f5e9fb40922ebd72fab69
ames:bd4f73c8398d10bcc5e81ce085459a4644fc2a0122f43d3094ed406e9ea52921
ames:cfa32408950dd09eadfe47fb13623bbe428b2ec9ae6f5e9fb40922ebd72fab69
ames:bd4f73c8398d10bcc5e81ce085459a4644fc2a0122f43d3094ed406e9ea52921
CWVRJTMFETXNAD-JUHZACGLSA-N
PFTAWBLQPZVEMU-DZGCQCFKSA-N
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O
Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","comet assay (DNA damage)","L4"]
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","comet assay (DNA damage)","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "biological_system=in vitro cells | lymphocytes", "canonical_assay_context=comet assay (DNA damage)", "canonical_measurement_scale_id=ames_damage_direction.v1", "endpoint_class=strand_break_or_alkali_labile_site", "endpoint_name=comet_assay", "endpoint_subtype=genetic damage index (GDI)", "molecule_role...
[ "biological_system=in vitro cells | Rattus norvegicus | Fao", "canonical_assay_context=comet assay (DNA damage)", "canonical_measurement_scale_id=ames_damage_direction.v1", "endpoint_class=strand_break_or_alkali_labile_site", "endpoint_name=comet_assay", "endpoint_subtype=DNA damage scored 0-4", "molecu...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
1
0
1
0.843672
{ "nontransfer": 0.99961154553646, "transfer": 0.00038845446354000124 }
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","comet assay (DNA damage)","L4"]
L4
ordinal
{ "calibration_sha256": "cda42c40187d956b35ca08a07df64c8513da784050e7d10bfde7c2c73e64b065", "groups": { "assay_concept": "L4", "measurement_kind": "ordinal", "query_condition_group": "[\"premutagenic_damage\",\"comet_assay\",\"signed_effect_direction\",\"ames_damage_direction.v1\",\"comet assay (DNA dam...
1
1.185295
0.000388
0.843672
0.000388
0.999612
safety_canonical_v27
0
true
0.212121
-1
-1
-1
indirect_record
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","comet assay (DNA damage)","L4"]
CWVRJTMFETXNAD-JUHZACGLSA-N
PFTAWBLQPZVEMU-DZGCQCFKSA-N
O=C(C=Cc1ccccc1)OC1CCCCC1
c1ccc(C2CCc3ccccc3O2)cc1
{ "aggregation_method": "individual_record", "display_measurement_text": "0", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 1, "aggregate_max": 1, "aggregate_q1": 1, "a...
{ "aggregation_method": "individual_record", "display_measurement_text": "-1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 0, "aggregate_max": 0, "aggregate_q1": 0, "...
1,605
1,525
693
id
train_exact_bucket.v27_safety
identity
{"assay_version":null,"biological_system":"in vitro cells | lymphocytes","canonical_assay_context":"comet assay (DNA damage)","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.85,"dose_or_concentration":null,"dose_unit":null,"endpoint_class":"strand_break_or_alkali_labile_site","endpoint_name":...
{"assay_version":null,"biological_system":"in vitro cells | Rattus norvegicus | Fao","canonical_assay_context":"comet assay (DNA damage)","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.7,"dose_or_concentration":null,"dose_unit":null,"endpoint_class":"strand_break_or_alkali_labile_site","endp...
L4
gold_v1
sr_ccd5d6fed8a647c682f013d12a6ef903
sr_7a73ce2398314433a34fc4e2605c0c7c
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","comet assay (DNA damage)"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CN(C(C)C)C2</SMILES> - Assay version: fluorescence-based HTS APE1 inhibition assay - Biological system: in vitro enzyme assay | purified APE1 enzy...
(A)
train
6aef61795110925ad5d94ef277602ab8438c6938aa9b57e2c0bd9d0426066449
-1
null
-1
null
null
null
ames
premutagenic_damage
limited_balanced_parent_morgan_first.v28_safety
ames:f1a2f6b8d5ddcf2b8536ed6f6912016c2cc42ab0e4f436b46d15f20f959dc2cd
ames:53ea10cd025410f0322faa45330e967549e89eaf43385ef2c56eb0c712ed2d32
ames:f1a2f6b8d5ddcf2b8536ed6f6912016c2cc42ab0e4f436b46d15f20f959dc2cd
ames:53ea10cd025410f0322faa45330e967549e89eaf43385ef2c56eb0c712ed2d32
JMSPCTGDYFVMJZ-UHFFFAOYSA-N
CZIACNCULOWAAI-UHFFFAOYSA-N
CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2
CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CN(C(C)C)C2
["premutagenic_damage","repair_activity_or_kinetics","signed_effect_direction","ames_damage_direction.v1","APE1 AP endonuclease activity","L4"]
["premutagenic_damage","repair_activity_or_kinetics","signed_effect_direction","ames_damage_direction.v1","APE1 AP endonuclease activity","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "assay_version=radiotracer incision assay (RIA) of APE1 endonuclease activity", "biological_system=cell-free enzyme assay | APE1 (AP endonuclease 1)", "canonical_assay_context=APE1 AP endonuclease activity", "canonical_measurement_scale_id=ames_damage_direction.v1", "endpoint_class=repair_activity_capacity_...
[ "assay_version=fluorescence-based HTS APE1 inhibition assay", "biological_system=in vitro enzyme assay | purified APE1 enzyme", "canonical_assay_context=APE1 AP endonuclease activity", "canonical_measurement_scale_id=ames_damage_direction.v1", "endpoint_class=repair_activity_capacity_or_lesion_removal", "...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
0
0
0
0.728387
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["premutagenic_damage","repair_activity_or_kinetics","signed_effect_direction","ames_damage_direction.v1","APE1 AP endonuclease activity","L4"]
L4
ordinal
{ "calibration_sha256": "cda42c40187d956b35ca08a07df64c8513da784050e7d10bfde7c2c73e64b065", "groups": { "assay_concept": "L4", "measurement_kind": "ordinal", "query_condition_group": "[\"premutagenic_damage\",\"repair_activity_or_kinetics\",\"signed_effect_direction\",\"ames_damage_direction.v1\",\"APE1...
0
0
0.982014
0.728387
0.982014
0.017986
safety_canonical_v27
1
true
0.836364
-1
-1
-1
indirect_record
["premutagenic_damage","repair_activity_or_kinetics","signed_effect_direction","ames_damage_direction.v1","APE1 AP endonuclease activity","L4"]
JMSPCTGDYFVMJZ-UHFFFAOYSA-N
CZIACNCULOWAAI-UHFFFAOYSA-N
c1ccc2sc(-c3csc4c3CCNC4)nc2c1
c1ccc2sc(-c3csc4c3CNC4)nc2c1
{ "aggregation_method": "individual_record", "display_measurement_text": "-1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 0, "aggregate_max": 0, "aggregate_q1": 0, "...
{ "aggregation_method": "individual_record", "display_measurement_text": "-1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 0, "aggregate_max": 0, "aggregate_q1": 0, "...
110
108
56
id
train_exact_bucket.v27_safety
identity
{"assay_version":"radiotracer incision assay (RIA) of APE1 endonuclease activity","biological_system":"cell-free enzyme assay | APE1 (AP endonuclease 1)","canonical_assay_context":"APE1 AP endonuclease activity","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.9,"dose_or_concentration":null,"d...
{"assay_version":"fluorescence-based HTS APE1 inhibition assay","biological_system":"in vitro enzyme assay | purified APE1 enzyme","canonical_assay_context":"APE1 AP endonuclease activity","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.85,"dose_or_concentration":null,"dose_unit":null,"endpoi...
L4
gold_v1
sr_2ae0cbad550c4fdc8c86fbb350f36905
sr_73200b2907f747f6af8535ac0e4da066
["premutagenic_damage","repair_activity_or_kinetics","signed_effect_direction","ames_damage_direction.v1","APE1 AP endonuclease activity"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>c1ccc([C](c2ccccc2)c2ccccc2)cc1</SMILES> - Assay version: alkaline single-cell gel electrophoresis (comet) assay - Biological system: in vivo gavage + ex vivo comet | Rattus (ra...
(B)
train
2c2a30bc49a947aa24bcdba74f00a6cd8af6a7de38f1b510276c0e0d48ab6f03
-1
null
-1
null
null
null
ames
premutagenic_damage
limited_balanced_parent_morgan_first.v28_safety
ames:1c4560e8ac340ff65904821a02d303bc468e80f7c77d98248ff3207de5e0fc97
ames:e84a4e1a8ff92a6b73493e9e1350055f852020fe557015c5e9abde7767a63f93
ames:1c4560e8ac340ff65904821a02d303bc468e80f7c77d98248ff3207de5e0fc97
ames:e84a4e1a8ff92a6b73493e9e1350055f852020fe557015c5e9abde7767a63f93
MHAJPDPJQMAIIY-UHFFFAOYSA-N
OHSJPLSEQNCRLW-UHFFFAOYSA-N
OO
c1ccc([C](c2ccccc2)c2ccccc2)cc1
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","comet assay (single-strand breaks)","L4"]
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","comet assay (single-strand breaks)","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "assay_version=comet assay", "biological_system=in vitro cells | Homo sapiens | Jurkat", "canonical_assay_context=comet assay (single-strand breaks)", "canonical_measurement_scale_id=ames_damage_direction.v1", "endpoint_class=strand_break_or_alkali_labile_site", "endpoint_name=comet_assay", "endpoint_su...
[ "assay_version=alkaline single-cell gel electrophoresis (comet) assay", "biological_system=in vivo gavage + ex vivo comet | Rattus (rat) | colon mucosal cells", "canonical_assay_context=comet assay (single-strand breaks)", "canonical_measurement_scale_id=ames_damage_direction.v1", "dose_or_concentration=40"...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
2
1
1
0.838254
{ "nontransfer": 0.9996401864571735, "transfer": 0.0003598135428265895 }
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","comet assay (single-strand breaks)","L4"]
L4
ordinal
{ "calibration_sha256": "cda42c40187d956b35ca08a07df64c8513da784050e7d10bfde7c2c73e64b065", "groups": { "assay_concept": "L4", "measurement_kind": "ordinal", "query_condition_group": "[\"premutagenic_damage\",\"comet_assay\",\"signed_effect_direction\",\"ames_damage_direction.v1\",\"comet assay (single-...
1
1.192956
0.00036
0.838254
0.00036
0.99964
safety_canonical_v27
0
true
0.166667
-1
-1
-1
indirect_record
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","comet assay (single-strand breaks)","L4"]
MHAJPDPJQMAIIY-UHFFFAOYSA-N
OHSJPLSEQNCRLW-UHFFFAOYSA-N
parent:MHAJPDPJQMAIIY-UHFFFAOYSA-N
c1ccc([C](c2ccccc2)c2ccccc2)cc1
{ "aggregation_method": "individual_record", "display_measurement_text": "1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "a...
{ "aggregation_method": "individual_record", "display_measurement_text": "0", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 1, "aggregate_max": 1, "aggregate_q1": 1, "a...
269
257
147
id
train_exact_bucket.v27_safety
identity
{"assay_version":"comet assay","biological_system":"in vitro cells | Homo sapiens | Jurkat","canonical_assay_context":"comet assay (single-strand breaks)","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.8,"dose_or_concentration":null,"dose_unit":null,"endpoint_class":"strand_break_or_alkali_l...
{"assay_version":"alkaline single-cell gel electrophoresis (comet) assay","biological_system":"in vivo gavage + ex vivo comet | Rattus (rat) | colon mucosal cells","canonical_assay_context":"comet assay (single-strand breaks)","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.9,"dose_or_concent...
L4
gold_v1
sr_07712dabd7e24e7dac23805b8142ef67
sr_1573a85c23fe43bc8f3c91e34b7ffdfe
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","comet assay (single-strand breaks)"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>O=NOO</SMILES> - Assay version: 8-oxoG measurement (sensitive assay, unspecified format) - Canonical assay context: 8-oxoguanine measurement - Canonical measurement scale id: am...
(A)
train
af39e06fbaee06efcb48863a0f61ca16531e42621bc581d6f838b9c918a0ad1b
-1
null
-1
null
null
null
ames
premutagenic_damage
limited_balanced_parent_morgan_first.v28_safety
ames:9f2de8b891914ce2bed57ef5528c2902367f1790d303740ce75c6f4241bdbc5c
ames:76494b07796c1aa1c66bbbfa80a9d18ac5e385d3a8b049a288e85decbafdb6e7
ames:9f2de8b891914ce2bed57ef5528c2902367f1790d303740ce75c6f4241bdbc5c
ames:76494b07796c1aa1c66bbbfa80a9d18ac5e385d3a8b049a288e85decbafdb6e7
WBNQDOYYEUMPFS-UHFFFAOYSA-N
CMFNMSMUKZHDEY-UHFFFAOYSA-N
CCN(CC)N=O
O=NOO
["premutagenic_damage","oxidized_base_measurement","signed_effect_direction","ames_damage_direction.v1","8-oxoguanine measurement","L4"]
["premutagenic_damage","oxidized_base_measurement","signed_effect_direction","ames_damage_direction.v1","8-oxoguanine measurement","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "assay_version=8-hydroxyguanine (8-OHG) measurement", "biological_system=animal model | Rattus norvegicus | liver", "canonical_assay_context=8-oxoguanine measurement", "canonical_measurement_scale_id=ames_damage_direction.v1", "endpoint_class=oxidized_dna_base", "endpoint_name=oxidized_base_measurement", ...
[ "assay_version=8-oxoG measurement (sensitive assay, unspecified format)", "canonical_assay_context=8-oxoguanine measurement", "canonical_measurement_scale_id=ames_damage_direction.v1", "endpoint_class=oxidized_dna_base", "endpoint_name=oxidized_base_measurement", "endpoint_subtype=8-oxoG", "molecule_rol...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
2
2
0
0.779023
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["premutagenic_damage","oxidized_base_measurement","signed_effect_direction","ames_damage_direction.v1","8-oxoguanine measurement","L4"]
L4
ordinal
{ "calibration_sha256": "cda42c40187d956b35ca08a07df64c8513da784050e7d10bfde7c2c73e64b065", "groups": { "assay_concept": "L4", "measurement_kind": "ordinal", "query_condition_group": "[\"premutagenic_damage\",\"oxidized_base_measurement\",\"signed_effect_direction\",\"ames_damage_direction.v1\",\"8-oxog...
0
0
0.982014
0.779023
0.982014
0.017986
safety_canonical_v27
1
true
0.157895
-1
-1
-1
indirect_record
["premutagenic_damage","oxidized_base_measurement","signed_effect_direction","ames_damage_direction.v1","8-oxoguanine measurement","L4"]
WBNQDOYYEUMPFS-UHFFFAOYSA-N
CMFNMSMUKZHDEY-UHFFFAOYSA-N
parent:WBNQDOYYEUMPFS-UHFFFAOYSA-N
parent:CMFNMSMUKZHDEY-UHFFFAOYSA-N
{ "aggregation_method": "individual_record", "display_measurement_text": "1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "a...
{ "aggregation_method": "individual_record", "display_measurement_text": "1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "a...
1,051
1,044
212
id
train_exact_bucket.v27_safety
identity
{"assay_version":"8-hydroxyguanine (8-OHG) measurement","biological_system":"animal model | Rattus norvegicus | liver","canonical_assay_context":"8-oxoguanine measurement","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.4,"dose_or_concentration":null,"dose_unit":null,"endpoint_class":"oxidize...
{"assay_version":"8-oxoG measurement (sensitive assay, unspecified format)","biological_system":null,"canonical_assay_context":"8-oxoguanine measurement","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.5,"dose_or_concentration":null,"dose_unit":null,"endpoint_class":"oxidized_dna_base","endpo...
L4
gold_v1
sr_36f59977228f46f59888ee24d63b16ab
sr_4c2c03b8fac74a8c9dabdd9e160c99c5
["premutagenic_damage","oxidized_base_measurement","signed_effect_direction","ames_damage_direction.v1","8-oxoguanine measurement"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>CC1(C)CC(Cl)CN(CCCC[C@@H](C(=O)OCc2ccccc2)N2CC(Cl)CC(C)(C)C2)C1</SMILES> - Assay version: agarose gel electrophoresis of supercoiled plasmid DNA, 1% agarose, 1× TAE - Biological...
(A)
train
86e32a86680c1bf5d86bc7a1bd6b76ff3ac7367914f44d1efc9305cbc07dcc69
-1
null
-1
null
null
null
ames
premutagenic_damage
limited_balanced_parent_morgan_first.v28_safety
ames:f139b13a5ae7c6a68470b6aed66b8bd0d1be5b268f5e9767b8d8330932f9cb49
ames:0cda16b6b26ef9fc69a84ed9612554ca1967c217ea007ca6418193f8c221b981
ames:f139b13a5ae7c6a68470b6aed66b8bd0d1be5b268f5e9767b8d8330932f9cb49
ames:0cda16b6b26ef9fc69a84ed9612554ca1967c217ea007ca6418193f8c221b981
PTILDWJVJIEZRG-ABHNRTSZSA-N
QAGILAWDKXYSMJ-VHYCJAOWSA-N
COC(=O)[C@H](CCCCN1CC(Cl)CC(C)(C)C1)N1CC(Cl)CC(C)(C)C1
CC1(C)CC(Cl)CN(CCCC[C@@H](C(=O)OCc2ccccc2)N2CC(Cl)CC(C)(C)C2)C1
["premutagenic_damage","strand_break_physical_assay","signed_effect_direction","ames_damage_direction.v1","agarose gel electrophoresis: pBR322 DNA single-strand breaks","L4"]
["premutagenic_damage","strand_break_physical_assay","signed_effect_direction","ames_damage_direction.v1","agarose gel electrophoresis: pBR322 DNA single-strand breaks","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "assay_version=agarose gel electrophoresis of supercoiled plasmid DNA, 1% agarose, 1× TAE", "biological_system=cell-free DNA | pBR322 supercoiled plasmid (3.5 nM)", "canonical_assay_context=agarose gel electrophoresis: pBR322 DNA single-strand breaks", "canonical_measurement_scale_id=ames_damage_direction.v1"...
[ "assay_version=agarose gel electrophoresis of supercoiled plasmid DNA, 1% agarose, 1× TAE", "biological_system=cell-free DNA | pBR322 supercoiled plasmid (3.5 nM)", "canonical_assay_context=agarose gel electrophoresis: pBR322 DNA single-strand breaks", "canonical_measurement_scale_id=ames_damage_direction.v1"...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
2
2
0
0.871523
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["premutagenic_damage","strand_break_physical_assay","signed_effect_direction","ames_damage_direction.v1","agarose gel electrophoresis: pBR322 DNA single-strand breaks","L4"]
L4
ordinal
{ "calibration_sha256": "cda42c40187d956b35ca08a07df64c8513da784050e7d10bfde7c2c73e64b065", "groups": { "assay_concept": "L4", "measurement_kind": "ordinal", "query_condition_group": "[\"premutagenic_damage\",\"strand_break_physical_assay\",\"signed_effect_direction\",\"ames_damage_direction.v1\",\"agar...
0
0
0.982014
0.871523
0.982014
0.017986
safety_canonical_v27
1
true
0.690909
-1
-1
-1
indirect_record
["premutagenic_damage","strand_break_physical_assay","signed_effect_direction","ames_damage_direction.v1","agarose gel electrophoresis: pBR322 DNA single-strand breaks","L4"]
PTILDWJVJIEZRG-ABHNRTSZSA-N
QAGILAWDKXYSMJ-VHYCJAOWSA-N
C1CCN(CCCCCN2CCCCC2)CC1
O=C(OCc1ccccc1)C(CCCCN1CCCCC1)N1CCCCC1
{ "aggregation_method": "individual_record", "display_measurement_text": "1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "a...
{ "aggregation_method": "individual_record", "display_measurement_text": "1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "a...
96
94
71
id
train_exact_bucket.v27_safety
identity
{"assay_version":"agarose gel electrophoresis of supercoiled plasmid DNA, 1% agarose, 1\u00d7 TAE","biological_system":"cell-free DNA | pBR322 supercoiled plasmid (3.5 nM)","canonical_assay_context":"agarose gel electrophoresis: pBR322 DNA single-strand breaks","canonical_measurement_scale_id":"ames_damage_direction.v1...
{"assay_version":"agarose gel electrophoresis of supercoiled plasmid DNA, 1% agarose, 1\u00d7 TAE","biological_system":"cell-free DNA | pBR322 supercoiled plasmid (3.5 nM)","canonical_assay_context":"agarose gel electrophoresis: pBR322 DNA single-strand breaks","canonical_measurement_scale_id":"ames_damage_direction.v1...
L4
gold_v1
sr_3bb079303b6e4fbda18bda547addb4fc
sr_4b11c9694513407dbada524b316a1008
["premutagenic_damage","strand_break_physical_assay","signed_effect_direction","ames_damage_direction.v1","agarose gel electrophoresis: pBR322 DNA single-strand breaks"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]2O)c(=O)n1</SMILES> - Assay version: in vitro NHEJ end-joining assay with rat cerebrum protein extracts, measur...
(B)
train
77977e7d426e124b19fe4b4b8836efb26899aae7580d9ca7bf6c75713eb233fc
-1
null
-1
null
null
null
ames
premutagenic_damage
limited_balanced_parent_morgan_first.v28_safety
ames:ea251b0df9c63c73e4b9e46c6762803b2ef9ae9c5168417633b622e26ea6104e
ames:2cb9ad8e3186b7a9574cd1e6c4599cf2357b8b27b09575ffc421a2980c20c7cb
ames:ea251b0df9c63c73e4b9e46c6762803b2ef9ae9c5168417633b622e26ea6104e
ames:2cb9ad8e3186b7a9574cd1e6c4599cf2357b8b27b09575ffc421a2980c20c7cb
IMQLKJBTEOYOSI-UHFFFAOYSA-N
PCDQPRRSZKQHHS-CCXZUQQUSA-N
O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]2O)c(=O)n1
["premutagenic_damage","repair_activity_or_kinetics","signed_effect_direction","ames_damage_direction.v1","cell-free NHEJ end-joining assay","L4"]
["premutagenic_damage","repair_activity_or_kinetics","signed_effect_direction","ames_damage_direction.v1","cell-free NHEJ end-joining assay","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "assay_version=in vitro end-joining assay (gel-based detection of monomer/dimer/trimer concatamers)", "biological_system=in vitro cell extract | Homo sapiens | HeLa AS65 (Ku-depleted)", "canonical_assay_context=cell-free NHEJ end-joining assay", "canonical_measurement_scale_id=ames_damage_direction.v1", "do...
[ "assay_version=in vitro NHEJ end-joining assay with rat cerebrum protein extracts, measuring dimeric and multimeric recombinant NHEJ products", "biological_system=in vitro protein extract | Rattus norvegicus | rat cerebrum (brain) protein extracts", "canonical_assay_context=cell-free NHEJ end-joining assay", ...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
2
0
2
0.761028
{ "nontransfer": 0.9999999997892278, "transfer": 2.1077215650052163e-10 }
["premutagenic_damage","repair_activity_or_kinetics","signed_effect_direction","ames_damage_direction.v1","cell-free NHEJ end-joining assay","L4"]
L4
ordinal
{ "calibration_sha256": "cda42c40187d956b35ca08a07df64c8513da784050e7d10bfde7c2c73e64b065", "groups": { "assay_concept": "L4", "measurement_kind": "ordinal", "query_condition_group": "[\"premutagenic_damage\",\"repair_activity_or_kinetics\",\"signed_effect_direction\",\"ames_damage_direction.v1\",\"cell...
2
2.628024
0
0.761028
0
1
safety_canonical_v27
0
true
0.166667
-1
-1
-1
indirect_record
["premutagenic_damage","repair_activity_or_kinetics","signed_effect_direction","ames_damage_direction.v1","cell-free NHEJ end-joining assay","L4"]
IMQLKJBTEOYOSI-UHFFFAOYSA-N
PCDQPRRSZKQHHS-CCXZUQQUSA-N
C1CCCCC1
O=c1ncccn1C1CCCO1
{ "aggregation_method": "individual_record", "display_measurement_text": "1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "a...
{ "aggregation_method": "individual_record", "display_measurement_text": "-1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 0, "aggregate_max": 0, "aggregate_q1": 0, "...
108
104
42
id
train_exact_bucket.v27_safety
identity
{"assay_version":"in vitro end-joining assay (gel-based detection of monomer/dimer/trimer concatamers)","biological_system":"in vitro cell extract | Homo sapiens | HeLa AS65 (Ku-depleted)","canonical_assay_context":"cell-free NHEJ end-joining assay","canonical_measurement_scale_id":"ames_damage_direction.v1","confidenc...
{"assay_version":"in vitro NHEJ end-joining assay with rat cerebrum protein extracts, measuring dimeric and multimeric recombinant NHEJ products","biological_system":"in vitro protein extract | Rattus norvegicus | rat cerebrum (brain) protein extracts","canonical_assay_context":"cell-free NHEJ end-joining assay","canon...
L4
gold_v1
sr_f2a528ff7ef44e67a4264e0379570332
sr_dd573e81060e422588cde9ba7a1bc5f1
["premutagenic_damage","repair_activity_or_kinetics","signed_effect_direction","ames_damage_direction.v1","cell-free NHEJ end-joining assay"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O</SMILES> - Assay version: in vitro non-homologous end joining (NHEJ) DNA ligation assay - Biological...
(A)
train
268ed1f30d4deec713fdb7fb68843231b9fdcc13fcdf031f3de7cebf8f33e2c1
-1
null
-1
null
null
null
ames
premutagenic_damage
limited_balanced_parent_morgan_first.v28_safety
ames:200e8693afa0a941ac281c60ca522f0fddc4cb9d643fb0bf6f0eb145ab557256
ames:a908b796475580effd87b8fcef2294e18ad1f31e892b0b24f82cd4cd22344929
ames:200e8693afa0a941ac281c60ca522f0fddc4cb9d643fb0bf6f0eb145ab557256
ames:a908b796475580effd87b8fcef2294e18ad1f31e892b0b24f82cd4cd22344929
IMQLKJBTEOYOSI-GPIVLXJGSA-N
IMQLKJBTEOYOSI-UHFFFAOYSA-N
O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O
O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O
["premutagenic_damage","repair_activity_or_kinetics","signed_effect_direction","ames_damage_direction.v1","cell-free NHEJ end-joining assay","L4"]
["premutagenic_damage","repair_activity_or_kinetics","signed_effect_direction","ames_damage_direction.v1","cell-free NHEJ end-joining assay","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "assay_version=In vitro NHEJ end-joining assay with cell-free HeLa extract (PC-C phosphocellulose fraction)", "biological_system=cell-free extract | Homo sapiens | HeLa extract, PC-C fraction containing DNA-PK and XRCC4/DNA ligase IV", "canonical_assay_context=cell-free NHEJ end-joining assay", "canonical_mea...
[ "assay_version=in vitro non-homologous end joining (NHEJ) DNA ligation assay", "biological_system=in vitro biochemical ligation reaction | Homo sapiens | human cell extracts and recombinant NHEJ factors (Ku, DNA-PKcs, XRCC4, XLF, Ligase IV)", "canonical_assay_context=cell-free NHEJ end-joining assay", "canoni...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
2
2
0
0.761028
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["premutagenic_damage","repair_activity_or_kinetics","signed_effect_direction","ames_damage_direction.v1","cell-free NHEJ end-joining assay","L4"]
L4
ordinal
{ "calibration_sha256": "cda42c40187d956b35ca08a07df64c8513da784050e7d10bfde7c2c73e64b065", "groups": { "assay_concept": "L4", "measurement_kind": "ordinal", "query_condition_group": "[\"premutagenic_damage\",\"repair_activity_or_kinetics\",\"signed_effect_direction\",\"ames_damage_direction.v1\",\"cell...
0
0
0.982014
0.761028
0.982014
0.017986
safety_canonical_v27
1
true
1
-1
-1
-1
indirect_record
["premutagenic_damage","repair_activity_or_kinetics","signed_effect_direction","ames_damage_direction.v1","cell-free NHEJ end-joining assay","L4"]
IMQLKJBTEOYOSI-GPIVLXJGSA-N
IMQLKJBTEOYOSI-UHFFFAOYSA-N
C1CCCCC1
C1CCCCC1
{ "aggregation_method": "individual_record", "display_measurement_text": "1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "a...
{ "aggregation_method": "individual_record", "display_measurement_text": "1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "a...
108
104
42
id
train_exact_bucket.v27_safety
identity
{"assay_version":"In vitro NHEJ end-joining assay with cell-free HeLa extract (PC-C phosphocellulose fraction)","biological_system":"cell-free extract | Homo sapiens | HeLa extract, PC-C fraction containing DNA-PK and XRCC4/DNA ligase IV","canonical_assay_context":"cell-free NHEJ end-joining assay","canonical_measureme...
{"assay_version":"in vitro non-homologous end joining (NHEJ) DNA ligation assay","biological_system":"in vitro biochemical ligation reaction | Homo sapiens | human cell extracts and recombinant NHEJ factors (Ku, DNA-PKcs, XRCC4, XLF, Ligase IV)","canonical_assay_context":"cell-free NHEJ end-joining assay","canonical_me...
L4
gold_v1
sr_dfa3f8d322274870af999acb3b9040ca
sr_660eb319d2f64c12b305d45c70106a01
["premutagenic_damage","repair_activity_or_kinetics","signed_effect_direction","ames_damage_direction.v1","cell-free NHEJ end-joining assay"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>O=C(O)C(Cl)Cl</SMILES> - Assay version: neutral comet assay - Biological system: in vitro cells | Homo sapiens | A549 and H1299 NSCLC cells - Canonical assay context: neutral co...
(B)
train
f55d0d3cd734c905248f26fa3db6df3a51fcaee7015ea47536f28617f79e4be1
-1
null
-1
null
null
null
ames
premutagenic_damage
limited_balanced_parent_morgan_first.v28_safety
ames:68653d058680b86eba0759779b49bd19ed402d91249db0cd1ad408871eaacb4b
ames:4b8cf35f180e4d6ffa0ba6e4b1b434c2de21c260051ec4fde367d9280dd4d92e
ames:68653d058680b86eba0759779b49bd19ed402d91249db0cd1ad408871eaacb4b
ames:4b8cf35f180e4d6ffa0ba6e4b1b434c2de21c260051ec4fde367d9280dd4d92e
JVTAAEKCZFNVCJ-UWTATZPHSA-N
JXTHNDFMNIQAHM-UHFFFAOYSA-N
C[C@@H](O)C(=O)O
O=C(O)C(Cl)Cl
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","neutral comet assay (Olive tail moment)","L4"]
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","neutral comet assay (Olive tail moment)","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "assay_version=neutral comet assay (Olive tail moment)", "biological_system=in vitro cells | Homo sapiens | HeLa", "canonical_assay_context=neutral comet assay (Olive tail moment)", "canonical_measurement_scale_id=ames_damage_direction.v1", "dose_or_concentration=20", "dose_unit=mM", "endpoint_class=str...
[ "assay_version=neutral comet assay", "biological_system=in vitro cells | Homo sapiens | A549 and H1299 NSCLC cells", "canonical_assay_context=neutral comet assay (Olive tail moment)", "canonical_measurement_scale_id=ames_damage_direction.v1", "dose_or_concentration=50", "dose_unit=mM", "endpoint_class=s...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
far
0
2
2
0.929605
{ "nontransfer": 0.9999999752519989, "transfer": 2.4748001099174298e-8 }
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","neutral comet assay (Olive tail moment)","L4"]
L4
ordinal
{ "calibration_sha256": "cda42c40187d956b35ca08a07df64c8513da784050e7d10bfde7c2c73e64b065", "groups": { "assay_concept": "L4", "measurement_kind": "ordinal", "query_condition_group": "[\"premutagenic_damage\",\"comet_assay\",\"signed_effect_direction\",\"ames_damage_direction.v1\",\"neutral comet assay ...
2
2.151452
0
0.929605
0
1
safety_canonical_v27
0
true
0.4
-1
-1
-1
indirect_record
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","neutral comet assay (Olive tail moment)","L4"]
JVTAAEKCZFNVCJ-UWTATZPHSA-N
JXTHNDFMNIQAHM-UHFFFAOYSA-N
parent:JVTAAEKCZFNVCJ-UWTATZPHSA-N
parent:JXTHNDFMNIQAHM-UHFFFAOYSA-N
{ "aggregation_method": "individual_record", "display_measurement_text": "-1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 0, "aggregate_max": 0, "aggregate_q1": 0, "...
{ "aggregation_method": "individual_record", "display_measurement_text": "1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "a...
44
44
27
id
train_exact_bucket.v27_safety
identity
{"assay_version":"neutral comet assay (Olive tail moment)","biological_system":"in vitro cells | Homo sapiens | HeLa","canonical_assay_context":"neutral comet assay (Olive tail moment)","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.8,"dose_or_concentration":"20","dose_unit":"mM","endpoint_c...
{"assay_version":"neutral comet assay","biological_system":"in vitro cells | Homo sapiens | A549 and H1299 NSCLC cells","canonical_assay_context":"neutral comet assay (Olive tail moment)","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.85,"dose_or_concentration":"50","dose_unit":"mM","endpoin...
L4
gold_v1
sr_4a5091884c3d48bb80d0f40f789bdb92
sr_fdb5950aafc64ef8ba6128d6071d8625
["premutagenic_damage","comet_assay","signed_effect_direction","ames_damage_direction.v1","neutral comet assay (Olive tail moment)"]
You are comparing two experiments selected from similar assays. The experimental details may differ. Experiment A (known measurement) <SMILES>O=C(O)C[C@@H]1C(=O)O[C@H]2[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](OC(=O)c3cc(O)c(O)c4c3[C@H]1[C@H](O)C(=O)O4)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O[C@@H]2COC(=O)c1cc(O)c(O)c(O)c1</SMILES>...
(A)
train
7aefaad7212bd1d0095eca38b18310548d97dd4083ae0c757046a1066b704dae
-1
null
-1
null
null
null
ames
premutagenic_damage
limited_balanced_parent_morgan_first.v28_safety
ames:b23a2cb6d85e9fcd71ce4f0135de0fe7c84b894541ec5c906baa2bcaa707d6bb
ames:c0b1d3890e35cdc0dc7a1878cd4daa626db0fbb87052e03d90d75cc224510962
ames:b23a2cb6d85e9fcd71ce4f0135de0fe7c84b894541ec5c906baa2bcaa707d6bb
ames:c0b1d3890e35cdc0dc7a1878cd4daa626db0fbb87052e03d90d75cc224510962
JPUKWEQWGBDDQB-QSOFNFLRSA-N
YGVHOSGNOYKRIH-FJPMMHPYSA-N
O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
O=C(O)C[C@@H]1C(=O)O[C@H]2[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](OC(=O)c3cc(O)c(O)c4c3[C@H]1[C@H](O)C(=O)O4)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O[C@@H]2COC(=O)c1cc(O)c(O)c(O)c1
["premutagenic_damage","strand_break_physical_assay","signed_effect_direction","ames_damage_direction.v1","plasmid DNA strand break assay by relaxation","L4"]
["premutagenic_damage","strand_break_physical_assay","signed_effect_direction","ames_damage_direction.v1","plasmid DNA strand break assay by relaxation","L4"]
exact_v10_pair_bucket_and_level
exact_v10_pair_bucket_and_level
[ "assay_version=agarose gel electrophoresis of supercoiled plasmid DNA, conversion of supercoiled to relaxed (open circular) form", "biological_system=cell-free DNA | plasmid DNA", "canonical_assay_context=plasmid DNA strand break assay by relaxation", "canonical_measurement_scale_id=ames_damage_direction.v1",...
[ "assay_version=agarose gel plasmid relaxation/supercoiled DNA strand break assay", "biological_system=cell-free DNA | pBR322 plasmid DNA", "canonical_assay_context=plasmid DNA strand break assay by relaxation", "canonical_measurement_scale_id=ames_damage_direction.v1", "endpoint_class=strand_break_or_alkali...
same_exact_v10_pair_bucket_and_level
1
1
null
null
null
null
near
2
2
0
0.831473
{ "nontransfer": 0.01798620996209155, "transfer": 0.9820137900379085 }
["premutagenic_damage","strand_break_physical_assay","signed_effect_direction","ames_damage_direction.v1","plasmid DNA strand break assay by relaxation","L4"]
L4
ordinal
{ "calibration_sha256": "cda42c40187d956b35ca08a07df64c8513da784050e7d10bfde7c2c73e64b065", "groups": { "assay_concept": "L4", "measurement_kind": "ordinal", "query_condition_group": "[\"premutagenic_damage\",\"strand_break_physical_assay\",\"signed_effect_direction\",\"ames_damage_direction.v1\",\"plas...
0
0
0.982014
0.831473
0.982014
0.017986
safety_canonical_v27
1
true
0.165049
-1
-1
-1
indirect_record
["premutagenic_damage","strand_break_physical_assay","signed_effect_direction","ames_damage_direction.v1","plasmid DNA strand break assay by relaxation","L4"]
JPUKWEQWGBDDQB-QSOFNFLRSA-N
YGVHOSGNOYKRIH-FJPMMHPYSA-N
O=c1c(OC2CCCCO2)c(-c2ccccc2)oc2ccccc12
O=C1CC2CC(=O)OC3C(COC(=O)c4ccccc4)OC(OC(=O)c4ccccc4)C(OC(=O)c4cccc(c42)O1)C3OC(=O)c1ccccc1
{ "aggregation_method": "individual_record", "display_measurement_text": "1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "a...
{ "aggregation_method": "individual_record", "display_measurement_text": "1", "display_unit_text": "signed_effect_direction", "display_transform_id": "canonical_stage3.v10", "source_record_count": 1, "deduplicated_source_record_count": 1, "aggregate_min": 2, "aggregate_max": 2, "aggregate_q1": 2, "a...
71
71
55
id
train_exact_bucket.v27_safety
identity
{"assay_version":"agarose gel electrophoresis of supercoiled plasmid DNA, conversion of supercoiled to relaxed (open circular) form","biological_system":"cell-free DNA | plasmid DNA","canonical_assay_context":"plasmid DNA strand break assay by relaxation","canonical_measurement_scale_id":"ames_damage_direction.v1","con...
{"assay_version":"agarose gel plasmid relaxation/supercoiled DNA strand break assay","biological_system":"cell-free DNA | pBR322 plasmid DNA","canonical_assay_context":"plasmid DNA strand break assay by relaxation","canonical_measurement_scale_id":"ames_damage_direction.v1","confidence":0.8,"dose_or_concentration":null...
L4
gold_v1
sr_5bbac711f70e49b5b74e16aad1bdd585
sr_4b4a3869d8b744dabba60642122381ef
["premutagenic_damage","strand_break_physical_assay","signed_effect_direction","ames_damage_direction.v1","plasmid DNA strand break assay by relaxation"]
End of preview. Expand in Data Studio

Ames 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': 24758, 'validation_ranking': 23347, 'test_ranking': 22663}

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