prompt string | completion string | split string | pair_id string | ranking_query_id string | ranking_member_index int64 | ranking_candidate_row_count int64 | ranking_candidate_parent_count int64 | retrieval_parent_rank int64 | retrieval_parent_context_index int64 | retrieval_parent_context_count int64 | task_id string | source_id string | retrieval_strategy string | query_record_id string | retrieval_record_id string | query_benchmark_row_id string | retrieval_benchmark_row_id string | query_molecule_identity_key string | retrieval_molecule_identity_key string | query_smiles string | retrieval_smiles string | query_condition_group string | retrieval_condition_group string | query_condition_scope string | retrieval_condition_scope string | query_condition_atoms list | retrieval_condition_atoms list | candidate_context_relation string | query_source_record_count int64 | retrieval_source_record_count int64 | query_agreement_fraction float64 | retrieval_agreement_fraction float64 | query_gold_Y int64 | retrieval_gold_Y int64 | ranking_balance_label string | query_geometry_value float64 | retrieval_geometry_value float64 | absolute_geometry_difference float64 | calibration_sample_standard_deviation float64 | target_distribution dict | canonical_endpoint_key string | assay_concept string | measurement_kind string | metadata dict | absolute_canonical_value_difference float64 | standardized_canonical_value_difference float64 | sd_logistic_similarity float64 | target_train_sample_standard_deviation float64 | target_a float64 | target_b float64 | label_mode string | binary_label int64 | is_decisive bool | morgan_tanimoto_similarity float64 | graph_a_position int64 | graph_b_position int64 | graph_offset int64 | representation string | pair_bucket_key string | query_parent_id string | retrieval_parent_id string | query_scaffold string | retrieval_scaffold string | query_evidence dict | retrieval_evidence dict | bucket_total_record_count int64 | bucket_train_record_count int64 | bucket_train_parent_count int64 | evaluation_regime string | calibration_scope string | logit_geometry_transform string | query_source_payload_json string | retrieval_source_payload_json string | level string | level_family string | query_source_row_uid string | retrieval_source_row_uid string | upstream_pair_bucket_key string | source_level string | dataset_level string | training_component string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O</SMILES>
Reported context:
- Species: human
Known estimated likelihood of a carcinogenic outcome: 26.7%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</... | (A) | train | 8c8952d4487db029db3939b4f998c56c65bec21c8c37740a24864c5b31f28999 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_CB049B41DCEA4EA25128 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_CB049B41DCEA4EA25128 | FFEARJCKVFRZRR-BYPYZUCNSA-N | WTDRDQBEARUVNC-LURJTMIESA-N | CSCC[C@H](N)C(=O)O | N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O | species=human | species=human | external | external | [
"species=human"
] | [
"species=human"
] | exact_condition | 18 | 15 | 0.833333 | 0.733333 | 0 | 0 | near | 0.166667 | 0.266667 | 0.1 | 0.40174 | {
"nontransfer": 0.1808160502752919,
"transfer": 0.8191839497247081
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.1 | 0.248917 | 0.819184 | 0.40174 | 0.819184 | 0.180816 | vote_mean | 1 | true | 0.297297 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | WTDRDQBEARUVNC-LURJTMIESA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>CC(C)=O</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 8.3%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
Reported contex... | (A) | train | da55dc560019a0ee089b3d0ef64a2a70f54f4d257fb39f5dca30620fd55f35dc | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_9B5E6B340FF3F1D8B43B | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_9B5E6B340FF3F1D8B43B | FFEARJCKVFRZRR-BYPYZUCNSA-N | CSCPPACGZOOCGX-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | CC(C)=O | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 12 | 0.833333 | 0.916667 | 0 | 0 | near | 0.166667 | 0.083333 | 0.083333 | 0.40174 | {
"nontransfer": 0.12722835877807892,
"transfer": 0.8727716412219211
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.083333 | 0.207431 | 0.872772 | 0.40174 | 0.872772 | 0.127228 | vote_mean | 1 | true | 0.173913 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | CSCPPACGZOOCGX-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>CNC(=O)CSP(=S)(OC)OC</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 12.5%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
R... | (A) | train | 456554b8d0b8a55d04e12d52218b9adb03749a0688b85fbdd99e1c401bd01198 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_14FA0E7594A877A690D5 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_14FA0E7594A877A690D5 | FFEARJCKVFRZRR-BYPYZUCNSA-N | MCWXGJITAZMZEV-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | CNC(=O)CSP(=S)(OC)OC | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 8 | 0.833333 | 0.875 | 0 | 0 | near | 0.166667 | 0.125 | 0.041667 | 0.40174 | {
"nontransfer": 0.049132911619742536,
"transfer": 0.9508670883802575
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.041667 | 0.103715 | 0.950867 | 0.40174 | 0.950867 | 0.049133 | vote_mean | 1 | true | 0.15 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | MCWXGJITAZMZEV-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 14.3%
Molecu... | (A) | train | a17f0ca4b1db85fbfc021170f26a26f23f7ba6590330f1cc152a1c2a44d050e3 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_4E7214E787CA7C8527DF | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_4E7214E787CA7C8527DF | FFEARJCKVFRZRR-BYPYZUCNSA-N | AVKUERGKIZMTKX-NJBDSQKTSA-N | CSCC[C@H](N)C(=O)O | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 7 | 0.833333 | 0.857143 | 0 | 0 | near | 0.166667 | 0.142857 | 0.02381 | 0.40174 | {
"nontransfer": 0.03206685413008714,
"transfer": 0.9679331458699129
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.02381 | 0.059266 | 0.967933 | 0.40174 | 0.967933 | 0.032067 | vote_mean | 1 | true | 0.137931 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | AVKUERGKIZMTKX-NJBDSQKTSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O</SMILES>
Reported context:
- Species: human
Known estimated likelihood of a carcinogenic outcome: 7.1%
Molecule B
<SMILES>CSCC[C@H](N)C(... | (A) | train | a8e7aeb09253c7a654b16c0769300f22c169ba052272916fc8a57d83f97c6fa2 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_5A2D8615334B7C1FE072 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_5A2D8615334B7C1FE072 | FFEARJCKVFRZRR-BYPYZUCNSA-N | PJVWKTKQMONHTI-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O | species=human | species=human | external | external | [
"species=human"
] | [
"species=human"
] | exact_condition | 18 | 14 | 0.833333 | 0.928571 | 0 | 0 | near | 0.166667 | 0.071429 | 0.095238 | 0.40174 | {
"nontransfer": 0.16391799574360566,
"transfer": 0.8360820042563943
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.095238 | 0.237064 | 0.836082 | 0.40174 | 0.836082 | 0.163918 | vote_mean | 1 | true | 0.137255 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | PJVWKTKQMONHTI-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>COC(=O)/C=C/C(=O)OC</SMILES>
Reported context:
- Species: human
Known estimated likelihood of a carcinogenic outcome: 22.2%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
Rep... | (A) | train | 89a350c000ee53ef2634ce8921a51e04350f5643adfc697d45c55d423ebe86db | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_DB9F93D8B1702E85E2A3 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_DB9F93D8B1702E85E2A3 | FFEARJCKVFRZRR-BYPYZUCNSA-N | LDCRTTXIJACKKU-ONEGZZNKSA-N | CSCC[C@H](N)C(=O)O | COC(=O)/C=C/C(=O)OC | species=human | species=human | external | external | [
"species=human"
] | [
"species=human"
] | exact_condition | 18 | 9 | 0.833333 | 0.777778 | 0 | 0 | near | 0.166667 | 0.222222 | 0.055556 | 0.40174 | {
"nontransfer": 0.06804426223624516,
"transfer": 0.9319557377637548
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.055556 | 0.138287 | 0.931956 | 0.40174 | 0.931956 | 0.068044 | vote_mean | 1 | true | 0.133333 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | LDCRTTXIJACKKU-ONEGZZNKSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>C=CC(=O)OC</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 25.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
Reported co... | (A) | train | 6c021b7d6d88e5d974cf4b4f4358728205763f95168135069e56aab84a1e9eb8 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_C78B02FD319D25F3221A | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_C78B02FD319D25F3221A | FFEARJCKVFRZRR-BYPYZUCNSA-N | BAPJBEWLBFYGME-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | C=CC(=O)OC | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 4 | 0.833333 | 0.75 | 0 | 0 | near | 0.166667 | 0.25 | 0.083333 | 0.40174 | {
"nontransfer": 0.12722835877807892,
"transfer": 0.8727716412219211
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.083333 | 0.207431 | 0.872772 | 0.40174 | 0.872772 | 0.127228 | vote_mean | 1 | true | 0.125 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | BAPJBEWLBFYGME-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>C=C(C)C(=O)OC</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 20.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
Reported... | (A) | train | b90f6bf12cdf48d8d29d5c474d42076363ee36d6a613206ad7ba569bfe4f31be | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_DED88F6EB20E49E2333C | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_DED88F6EB20E49E2333C | FFEARJCKVFRZRR-BYPYZUCNSA-N | VVQNEPGJFQJSBK-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | C=C(C)C(=O)OC | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 10 | 0.833333 | 0.8 | 0 | 0 | near | 0.166667 | 0.2 | 0.033333 | 0.40174 | {
"nontransfer": 0.04029973386165853,
"transfer": 0.9597002661383415
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.033333 | 0.082972 | 0.9597 | 0.40174 | 0.9597 | 0.0403 | vote_mean | 1 | true | 0.125 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | VVQNEPGJFQJSBK-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>CCC1(CCC(C)C)C(=O)NC(=O)NC1=O</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 11.1%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</... | (A) | train | d2593a795b9ded476454e8cc05233b068ce3c62be3376141fe7b52618c31f3d7 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_756A01432643E9B248A7 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_756A01432643E9B248A7 | FFEARJCKVFRZRR-BYPYZUCNSA-N | VIROVYVQCGLCII-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | CCC1(CCC(C)C)C(=O)NC(=O)NC1=O | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 9 | 0.833333 | 0.888889 | 0 | 0 | near | 0.166667 | 0.111111 | 0.055556 | 0.40174 | {
"nontransfer": 0.06804426223624516,
"transfer": 0.9319557377637548
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.055556 | 0.138287 | 0.931956 | 0.40174 | 0.931956 | 0.068044 | vote_mean | 1 | true | 0.121951 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | VIROVYVQCGLCII-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>O=C(O)c1ccncc1</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 25.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
Reporte... | (A) | train | 7f0aa766faab1cb86dc85af625ac4142af3716640ca3481884f2a0ea80f9661c | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_A9FA42E9493871B06018 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_A9FA42E9493871B06018 | FFEARJCKVFRZRR-BYPYZUCNSA-N | TWBYWOBDOCUKOW-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | O=C(O)c1ccncc1 | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 4 | 0.833333 | 0.75 | 0 | 0 | near | 0.166667 | 0.25 | 0.083333 | 0.40174 | {
"nontransfer": 0.12722835877807892,
"transfer": 0.8727716412219211
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.083333 | 0.207431 | 0.872772 | 0.40174 | 0.872772 | 0.127228 | vote_mean | 1 | true | 0.117647 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | TWBYWOBDOCUKOW-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>C[As](=O)(O)O</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 25.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
Reported... | (A) | train | aec8def5112fab83d081388a72125489c9d925f491417e7e1288c1cb58487e6c | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_33CEBB69D2AF0A985C3C | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_33CEBB69D2AF0A985C3C | FFEARJCKVFRZRR-BYPYZUCNSA-N | QYPPRTNMGCREIM-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | C[As](=O)(O)O | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 4 | 0.833333 | 0.75 | 0 | 0 | near | 0.166667 | 0.25 | 0.083333 | 0.40174 | {
"nontransfer": 0.12722835877807892,
"transfer": 0.8727716412219211
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.083333 | 0.207431 | 0.872772 | 0.40174 | 0.872772 | 0.127228 | vote_mean | 1 | true | 0.115385 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | QYPPRTNMGCREIM-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>CC(=O)Nc1nnc(S(N)(=O)=O)s1</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 25.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMI... | (A) | train | 0467a52039588a13fc3559de9e53517b56d34fd8e0ec0be37138d7e8d0dbaaee | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_5778A67A5DACCD344294 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_5778A67A5DACCD344294 | FFEARJCKVFRZRR-BYPYZUCNSA-N | BZKPWHYZMXOIDC-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | CC(=O)Nc1nnc(S(N)(=O)=O)s1 | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 4 | 0.833333 | 0.75 | 0 | 0 | near | 0.166667 | 0.25 | 0.083333 | 0.40174 | {
"nontransfer": 0.12722835877807892,
"transfer": 0.8727716412219211
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.083333 | 0.207431 | 0.872772 | 0.40174 | 0.872772 | 0.127228 | vote_mean | 1 | true | 0.113636 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | BZKPWHYZMXOIDC-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1</SMILES>
Reported context:
- Species: human
Known estimated likelihood of a carcinogenic outcome: 26.8%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SM... | (A) | train | a1d038ff78bdb53f938b84bd943886db94a6e94a4934c0b725d38b7f40979783 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_3C32CDA4D250C0CB1F85 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_3C32CDA4D250C0CB1F85 | FFEARJCKVFRZRR-BYPYZUCNSA-N | KNHUKKLJHYUCFP-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 | species=human | species=human | external | external | [
"species=human"
] | [
"species=human"
] | exact_condition | 18 | 41 | 0.833333 | 0.731707 | 0 | 0 | near | 0.166667 | 0.268293 | 0.101626 | 0.40174 | {
"nontransfer": 0.18688879702603922,
"transfer": 0.8131112029739608
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.101626 | 0.252965 | 0.813111 | 0.40174 | 0.813111 | 0.186889 | vote_mean | 1 | true | 0.108696 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | KNHUKKLJHYUCFP-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>O=C(O)c1cccnc1</SMILES>
Reported context:
- Species: human
Known estimated likelihood of a carcinogenic outcome: 22.2%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
Reported... | (A) | train | 9fdd36a398e2c0ce22e085b1711c9d0355e9d6719204990d15bbf868327001f4 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_025C708E73B4AB4013CE | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_025C708E73B4AB4013CE | FFEARJCKVFRZRR-BYPYZUCNSA-N | PVNIIMVLHYAWGP-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | O=C(O)c1cccnc1 | species=human | species=human | external | external | [
"species=human"
] | [
"species=human"
] | exact_condition | 18 | 9 | 0.833333 | 0.777778 | 0 | 0 | near | 0.166667 | 0.222222 | 0.055556 | 0.40174 | {
"nontransfer": 0.06804426223624516,
"transfer": 0.9319557377637548
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.055556 | 0.138287 | 0.931956 | 0.40174 | 0.931956 | 0.068044 | vote_mean | 1 | true | 0.105263 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | PVNIIMVLHYAWGP-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1</SMILES>
Reported context:
- Species: human
Known estimated likelihood of a carcinogenic outcome: 20.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</... | (A) | train | 6270dace245c1b1c814b017131da79740919d008ede5156203d6da4a966497ea | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_28E49B41B50F1C3840BC | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_28E49B41B50F1C3840BC | FFEARJCKVFRZRR-BYPYZUCNSA-N | SNPPWIUOZRMYNY-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 | species=human | species=human | external | external | [
"species=human"
] | [
"species=human"
] | exact_condition | 18 | 5 | 0.833333 | 0.8 | 0 | 0 | near | 0.166667 | 0.2 | 0.033333 | 0.40174 | {
"nontransfer": 0.04029973386165853,
"transfer": 0.9597002661383415
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.033333 | 0.082972 | 0.9597 | 0.40174 | 0.9597 | 0.0403 | vote_mean | 1 | true | 0.104167 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | SNPPWIUOZRMYNY-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 28.6%
Molecule B
<SMILES>CSCC[C@H](N... | (A) | train | 9effd1aae83e0541e3dee6231291870e7e8e24f9cc02b26ee539d6afb9748551 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_E2EC8331529E3E6B06C8 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_E2EC8331529E3E6B06C8 | FFEARJCKVFRZRR-BYPYZUCNSA-N | FBPFZTCFMRRESA-KVTDHHQDSA-N | CSCC[C@H](N)C(=O)O | OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 7 | 0.833333 | 0.714286 | 0 | 0 | near | 0.166667 | 0.285714 | 0.119048 | 0.40174 | {
"nontransfer": 0.2617871307338996,
"transfer": 0.7382128692661004
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.119048 | 0.29633 | 0.738213 | 0.40174 | 0.738213 | 0.261787 | vote_mean | 1 | true | 0.103448 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | FBPFZTCFMRRESA-KVTDHHQDSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>CC(=O)C(C#N)C(=O)Nc1ccc(C(F)(F)F)cc1</SMILES>
Reported context:
- Species: human
Known estimated likelihood of a carcinogenic outcome: 20.0%
Molecule B
<SMILES>CSCC[C@H](N)C(... | (A) | train | eba32441e72257752993f40aacdb1ceee45e24d71c499fc8a63edc2382e1f0e8 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_91E234D0B7248B86B722 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_91E234D0B7248B86B722 | FFEARJCKVFRZRR-BYPYZUCNSA-N | NABQBYDEMLGCEO-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | CC(=O)C(C#N)C(=O)Nc1ccc(C(F)(F)F)cc1 | species=human | species=human | external | external | [
"species=human"
] | [
"species=human"
] | exact_condition | 18 | 5 | 0.833333 | 0.8 | 0 | 0 | near | 0.166667 | 0.2 | 0.033333 | 0.40174 | {
"nontransfer": 0.04029973386165853,
"transfer": 0.9597002661383415
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.033333 | 0.082972 | 0.9597 | 0.40174 | 0.9597 | 0.0403 | vote_mean | 1 | true | 0.1 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | NABQBYDEMLGCEO-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1</SMILES>
Reported context:
- Species: human
Known estimated likelihood of a carcinogenic outcome: 11.1%
Molecule B
<SMILES>CSCC[C@H](N)C(=O... | (A) | train | 4a97ca240d661b18f18a79a967624341206c811b0da991046086a1def1afe519 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_788A2E2F8EB981BA7014 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_788A2E2F8EB981BA7014 | FFEARJCKVFRZRR-BYPYZUCNSA-N | RTHCYVBBDHJXIQ-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 | species=human | species=human | external | external | [
"species=human"
] | [
"species=human"
] | exact_condition | 18 | 9 | 0.833333 | 0.888889 | 0 | 0 | near | 0.166667 | 0.111111 | 0.055556 | 0.40174 | {
"nontransfer": 0.06804426223624516,
"transfer": 0.9319557377637548
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.055556 | 0.138287 | 0.931956 | 0.40174 | 0.931956 | 0.068044 | vote_mean | 1 | true | 0.096154 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | RTHCYVBBDHJXIQ-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>O=C(O)c1cc(=O)c2ccccc2[nH]1</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 25.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SM... | (A) | train | f380b817bfee2407c6e18685e55b3c22da3dfba9bc21588f1cf1b985dda4f954 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_46DBF25DFFACB33F3F2C | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_46DBF25DFFACB33F3F2C | FFEARJCKVFRZRR-BYPYZUCNSA-N | HCZHHEIFKROPDY-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | O=C(O)c1cc(=O)c2ccccc2[nH]1 | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 4 | 0.833333 | 0.75 | 0 | 0 | near | 0.166667 | 0.25 | 0.083333 | 0.40174 | {
"nontransfer": 0.12722835877807892,
"transfer": 0.8727716412219211
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.083333 | 0.207431 | 0.872772 | 0.40174 | 0.872772 | 0.127228 | vote_mean | 1 | true | 0.090909 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | HCZHHEIFKROPDY-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1</SMILES>
Reported context:
- Species: human
Known estimated likelihood of a carcinogenic outcome: 18.2%
Molecule B
<SMILES>CSCC[C@H](N)C... | (A) | train | 119936f4084e7bdb8b20a82f26add4e7e6362174e13e7fccfc0739e31fb5ccab | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_5083FE8D700AE64FC8B6 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_5083FE8D700AE64FC8B6 | FFEARJCKVFRZRR-BYPYZUCNSA-N | VWFCHDSQECPREK-LURJTMIESA-N | CSCC[C@H](N)C(=O)O | Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1 | species=human | species=human | external | external | [
"species=human"
] | [
"species=human"
] | exact_condition | 18 | 11 | 0.833333 | 0.818182 | 0 | 0 | near | 0.166667 | 0.181818 | 0.015152 | 0.40174 | {
"nontransfer": 0.026011701518380392,
"transfer": 0.9739882984816196
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.015152 | 0.037715 | 0.973988 | 0.40174 | 0.973988 | 0.026012 | vote_mean | 1 | true | 0.089286 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | VWFCHDSQECPREK-LURJTMIESA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>CN(C)C(N)=NC(=N)N</SMILES>
Reported context:
- Species: human
Known estimated likelihood of a carcinogenic outcome: 11.7%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
Repor... | (A) | train | a1a163a806ddf9ea3ae5b359b82c80998e35e1bbe26c37c382cb1f5a5b48083b | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_B5C0882C64C72F50D81A | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_B5C0882C64C72F50D81A | FFEARJCKVFRZRR-BYPYZUCNSA-N | XZWYZXLIPXDOLR-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | CN(C)C(N)=NC(=N)N | species=human | species=human | external | external | [
"species=human"
] | [
"species=human"
] | exact_condition | 18 | 60 | 0.833333 | 0.883333 | 0 | 0 | near | 0.166667 | 0.116667 | 0.05 | 0.40174 | {
"nontransfer": 0.059781602557284486,
"transfer": 0.9402183974427155
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.05 | 0.124459 | 0.940218 | 0.40174 | 0.940218 | 0.059782 | vote_mean | 1 | true | 0.085714 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | XZWYZXLIPXDOLR-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>CN=C(NC#N)NCCSCc1[nH]cnc1C</SMILES>
Reported context:
- Species: human
Known estimated likelihood of a carcinogenic outcome: 28.6%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMIL... | (A) | train | 382dec6783f763706b14b2778aa0cfa34e22186ae7a65a6cd01d44452137f749 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_5E5A058B19F415B3F1BC | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_5E5A058B19F415B3F1BC | FFEARJCKVFRZRR-BYPYZUCNSA-N | AQIXAKUUQRKLND-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | CN=C(NC#N)NCCSCc1[nH]cnc1C | species=human | species=human | external | external | [
"species=human"
] | [
"species=human"
] | exact_condition | 18 | 35 | 0.833333 | 0.714286 | 0 | 0 | near | 0.166667 | 0.285714 | 0.119048 | 0.40174 | {
"nontransfer": 0.2617871307338996,
"transfer": 0.7382128692661004
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.119048 | 0.29633 | 0.738213 | 0.40174 | 0.738213 | 0.261787 | vote_mean | 1 | true | 0.084746 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | AQIXAKUUQRKLND-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>OCCO</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 16.7%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
Reported context:... | (A) | train | da3c1750010cf55c69f2890626f24f50eef4449622e4c25cd26551b6fabeae3f | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_CA4AA119C58D21EA521C | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_CA4AA119C58D21EA521C | FFEARJCKVFRZRR-BYPYZUCNSA-N | LYCAIKOWRPUZTN-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | OCCO | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 6 | 0.833333 | 0.833333 | 0 | 0 | near | 0.166667 | 0.166667 | 0 | 0.40174 | {
"nontransfer": 0.01798620996209155,
"transfer": 0.9820137900379085
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0 | 0 | 0.982014 | 0.40174 | 0.982014 | 0.017986 | vote_mean | 1 | true | 0.083333 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | LYCAIKOWRPUZTN-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>CC(=O)Nc1cccc2c1-c1ccccc1C2</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 22.2%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SM... | (A) | train | b787e275e4df53792da4269799370cedc649453806b2c3be1ee39c7867b3dd7d | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_719102C4F23F59B78029 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_719102C4F23F59B78029 | FFEARJCKVFRZRR-BYPYZUCNSA-N | PHPWISAFHNEMSR-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | CC(=O)Nc1cccc2c1-c1ccccc1C2 | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 9 | 0.833333 | 0.777778 | 0 | 0 | near | 0.166667 | 0.222222 | 0.055556 | 0.40174 | {
"nontransfer": 0.06804426223624516,
"transfer": 0.9319557377637548
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.055556 | 0.138287 | 0.931956 | 0.40174 | 0.931956 | 0.068044 | vote_mean | 1 | true | 0.083333 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | PHPWISAFHNEMSR-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>CSCCC(N)C(=O)O</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 100.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
Report... | (B) | train | 22f408273961399723f62ebfbb94f45b42eab1173ce51f85c6306abc4262d77e | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_2357C141EEE0E73ABEFB | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_2357C141EEE0E73ABEFB | FFEARJCKVFRZRR-BYPYZUCNSA-N | FFEARJCKVFRZRR-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | CSCCC(N)C(=O)O | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 1 | 0.833333 | 1 | 0 | 1 | far | 0.166667 | 1 | 0.833333 | 0.40174 | {
"nontransfer": 0.9999999464738948,
"transfer": 5.3526105160367884e-8
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.833333 | 2.07431 | 0 | 0.40174 | 0 | 1 | vote_mean | 0 | true | 1 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | FFEARJCKVFRZRR-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>CCSCCC(N)C(=O)O</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 100.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
Repor... | (B) | train | 857e03fda6ccc45e24cf1e8f02ad0b4e1ae8b84ef7d6e1ba747631f78a52c557 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_4664703E55E5EAEB2DF7 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_4664703E55E5EAEB2DF7 | FFEARJCKVFRZRR-BYPYZUCNSA-N | GGLZPLKKBSSKCX-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | CCSCCC(N)C(=O)O | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 15 | 0.833333 | 1 | 0 | 1 | far | 0.166667 | 1 | 0.833333 | 0.40174 | {
"nontransfer": 0.9999999464738948,
"transfer": 5.3526105160367884e-8
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.833333 | 2.07431 | 0 | 0.40174 | 0 | 1 | vote_mean | 0 | true | 0.62963 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | GGLZPLKKBSSKCX-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>CCSCC[C@H](N)C(=O)O</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 96.5%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
Re... | (B) | train | 24f6be451d11dfff50f0b24e056a2d90875d8920c056093876ecd763cd800afb | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_74A18456EBFFD0DB3B40 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_74A18456EBFFD0DB3B40 | FFEARJCKVFRZRR-BYPYZUCNSA-N | GGLZPLKKBSSKCX-YFKPBYRVSA-N | CSCC[C@H](N)C(=O)O | CCSCC[C@H](N)C(=O)O | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 86 | 0.833333 | 0.965116 | 0 | 1 | far | 0.166667 | 0.965116 | 0.79845 | 0.40174 | {
"nontransfer": 0.9999998724529818,
"transfer": 1.27547018215018e-7
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.79845 | 1.987478 | 0 | 0.40174 | 0 | 1 | vote_mean | 0 | true | 0.62963 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | GGLZPLKKBSSKCX-YFKPBYRVSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>N[C@@H](CCS)C(=O)O</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 0.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
Repo... | (B) | train | 9ef6f6d0892a4a5497e2ae8e4a4da38196c97400be3d6860d3be76fab8651762 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_209CA1A082E4E4666904 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_209CA1A082E4E4666904 | FFEARJCKVFRZRR-BYPYZUCNSA-N | FFFHZYDWPBMWHY-VKHMYHEASA-N | CSCC[C@H](N)C(=O)O | N[C@@H](CCS)C(=O)O | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 1 | 0.833333 | 1 | 0 | 0 | far | 0.166667 | 0 | 0.166667 | 0.40174 | {
"nontransfer": 0.5370865771451035,
"transfer": 0.46291342285489645
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.166667 | 0.414862 | 0.462913 | 0.40174 | 0.462913 | 0.537087 | vote_mean | 0 | false | 0.5 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | FFFHZYDWPBMWHY-VKHMYHEASA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>C[Se]CC[C@H](N)C(=O)O</SMILES>
Reported context:
- Species: human
Known estimated likelihood of a carcinogenic outcome: 100.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
... | (B) | train | ebd87715c3b498ee6b0cb507a2db6efb314d91d1ec4cadb096a4fce2f8c77f2f | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_2445296BF1D943066AE7 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_2445296BF1D943066AE7 | FFEARJCKVFRZRR-BYPYZUCNSA-N | RJFAYQIBOAGBLC-BYPYZUCNSA-N | CSCC[C@H](N)C(=O)O | C[Se]CC[C@H](N)C(=O)O | species=human | species=human | external | external | [
"species=human"
] | [
"species=human"
] | exact_condition | 18 | 1 | 0.833333 | 1 | 0 | 1 | far | 0.166667 | 1 | 0.833333 | 0.40174 | {
"nontransfer": 0.9999999464738948,
"transfer": 5.3526105160367884e-8
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.833333 | 2.07431 | 0 | 0.40174 | 0 | 1 | vote_mean | 0 | true | 0.5 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | RJFAYQIBOAGBLC-BYPYZUCNSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>N[C@@H](CCC(=O)O)C(=O)O</SMILES>
Reported context:
- Species: human
Known estimated likelihood of a carcinogenic outcome: 33.3%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>... | (B) | train | 2c57a4b57908716c58fd5dfc28f2f8bdf939afa33d80250a4a0ce094bd1ba089 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_F3DE26D83E46642D4364 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_F3DE26D83E46642D4364 | FFEARJCKVFRZRR-BYPYZUCNSA-N | WHUUTDBJXJRKMK-VKHMYHEASA-N | CSCC[C@H](N)C(=O)O | N[C@@H](CCC(=O)O)C(=O)O | species=human | species=human | external | external | [
"species=human"
] | [
"species=human"
] | exact_condition | 18 | 3 | 0.833333 | 0.666667 | 0 | 0 | far | 0.166667 | 0.333333 | 0.166667 | 0.40174 | {
"nontransfer": 0.5370865771451035,
"transfer": 0.46291342285489645
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.166667 | 0.414862 | 0.462913 | 0.40174 | 0.462913 | 0.537087 | vote_mean | 0 | false | 0.5 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | WHUUTDBJXJRKMK-VKHMYHEASA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>NCCC[C@H](N)C(=O)O</SMILES>
Reported context:
- Species: human
Known estimated likelihood of a carcinogenic outcome: 100.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
Rep... | (B) | train | aceff2f2b0b24dfafff01787f49e8f060e541f50bf58341de14274ce32baae9b | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_E45A74DB42EDCBE4711A | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_E45A74DB42EDCBE4711A | FFEARJCKVFRZRR-BYPYZUCNSA-N | AHLPHDHHMVZTML-BYPYZUCNSA-N | CSCC[C@H](N)C(=O)O | NCCC[C@H](N)C(=O)O | species=human | species=human | external | external | [
"species=human"
] | [
"species=human"
] | exact_condition | 18 | 1 | 0.833333 | 1 | 0 | 1 | far | 0.166667 | 1 | 0.833333 | 0.40174 | {
"nontransfer": 0.9999999464738948,
"transfer": 5.3526105160367884e-8
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.833333 | 2.07431 | 0 | 0.40174 | 0 | 1 | vote_mean | 0 | true | 0.481481 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | AHLPHDHHMVZTML-BYPYZUCNSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>NC(=O)CC[C@H](N)C(=O)O</SMILES>
Reported context:
- Species: human
Known estimated likelihood of a carcinogenic outcome: 0.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
R... | (B) | train | a0c4b9e7de28e8dae6348afe6a09c11edb468b39af56230649c966f732b4ad22 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_F3B09FB1A8996F5B4D83 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_F3B09FB1A8996F5B4D83 | FFEARJCKVFRZRR-BYPYZUCNSA-N | ZDXPYRJPNDTMRX-VKHMYHEASA-N | CSCC[C@H](N)C(=O)O | NC(=O)CC[C@H](N)C(=O)O | species=human | species=human | external | external | [
"species=human"
] | [
"species=human"
] | exact_condition | 18 | 4 | 0.833333 | 1 | 0 | 0 | far | 0.166667 | 0 | 0.166667 | 0.40174 | {
"nontransfer": 0.5370865771451035,
"transfer": 0.46291342285489645
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.166667 | 0.414862 | 0.462913 | 0.40174 | 0.462913 | 0.537087 | vote_mean | 0 | false | 0.481481 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | ZDXPYRJPNDTMRX-VKHMYHEASA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>CSCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 0.0%
Molecule B
<SMILES>CSCC[C@H]... | (B) | train | e42f45d9df7ac65f92a23b8d27e76a9c180af75b1f5ddad330a50855eeae04ce | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_CD6F6F9A847EF9AD3D5F | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_CD6F6F9A847EF9AD3D5F | FFEARJCKVFRZRR-BYPYZUCNSA-N | HGCNKOLVKRAVHD-RYUDHWBXSA-N | CSCC[C@H](N)C(=O)O | CSCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 1 | 0.833333 | 1 | 0 | 0 | far | 0.166667 | 0 | 0.166667 | 0.40174 | {
"nontransfer": 0.5370865771451035,
"transfer": 0.46291342285489645
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.166667 | 0.414862 | 0.462913 | 0.40174 | 0.462913 | 0.537087 | vote_mean | 0 | false | 0.475 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | HGCNKOLVKRAVHD-RYUDHWBXSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>NCCCC[C@H](N)C(=O)O</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 66.7%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
Re... | (B) | train | 1b2ddb3d3e5be929f6da035e68f7dd27df959b939338c4784bcbed664f3894e8 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_756D5AA71FD914FDAE95 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_756D5AA71FD914FDAE95 | FFEARJCKVFRZRR-BYPYZUCNSA-N | KDXKERNSBIXSRK-YFKPBYRVSA-N | CSCC[C@H](N)C(=O)O | NCCCC[C@H](N)C(=O)O | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 3 | 0.833333 | 0.666667 | 0 | 1 | far | 0.166667 | 0.666667 | 0.5 | 0.40174 | {
"nontransfer": 0.9997852578487701,
"transfer": 0.0002147421512299001
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.5 | 1.244586 | 0.000215 | 0.40174 | 0.000215 | 0.999785 | vote_mean | 0 | true | 0.464286 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | KDXKERNSBIXSRK-YFKPBYRVSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>NC(CCCC(=O)O)C(=O)O</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 0.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
Rep... | (B) | train | cc903fdee11366f4468fc8a0f2a18111c3ff9fc151a45235b377b0e50e466eea | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_647A09D5CA0D785038DF | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_647A09D5CA0D785038DF | FFEARJCKVFRZRR-BYPYZUCNSA-N | OYIFNHCXNCRBQI-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | NC(CCCC(=O)O)C(=O)O | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 1 | 0.833333 | 1 | 0 | 0 | far | 0.166667 | 0 | 0.166667 | 0.40174 | {
"nontransfer": 0.5370865771451035,
"transfer": 0.46291342285489645
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.166667 | 0.414862 | 0.462913 | 0.40174 | 0.462913 | 0.537087 | vote_mean | 0 | false | 0.464286 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | OYIFNHCXNCRBQI-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 100.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=... | (B) | train | b4526b61fb788e34bef75a1bac9377960a57b76b5a6a978cec3c9dfcb918edf8 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_6F1A4FD3368599517E72 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_6F1A4FD3368599517E72 | FFEARJCKVFRZRR-BYPYZUCNSA-N | LEVWYRKDKASIDU-IMJSIDKUSA-N | CSCC[C@H](N)C(=O)O | N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 3 | 0.833333 | 1 | 0 | 1 | far | 0.166667 | 1 | 0.833333 | 0.40174 | {
"nontransfer": 0.9999999464738948,
"transfer": 5.3526105160367884e-8
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.833333 | 2.07431 | 0 | 0.40174 | 0 | 1 | vote_mean | 0 | true | 0.461538 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | LEVWYRKDKASIDU-IMJSIDKUSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>CC(C)C[C@H](N)C(=O)O</SMILES>
Reported context:
- Species: human
Known estimated likelihood of a carcinogenic outcome: 75.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
Re... | (B) | train | 5936eebf9a478c17b28c887f40c3d99c8b38de07e4b78237e51a343ff2ca96d0 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_42403FB73CD8BE1C3F16 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_42403FB73CD8BE1C3F16 | FFEARJCKVFRZRR-BYPYZUCNSA-N | ROHFNLRQFUQHCH-YFKPBYRVSA-N | CSCC[C@H](N)C(=O)O | CC(C)C[C@H](N)C(=O)O | species=human | species=human | external | external | [
"species=human"
] | [
"species=human"
] | exact_condition | 18 | 4 | 0.833333 | 0.75 | 0 | 1 | far | 0.166667 | 0.75 | 0.583333 | 0.40174 | {
"nontransfer": 0.9999730140553881,
"transfer": 0.00002698594461196281
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.583333 | 1.452017 | 0.000027 | 0.40174 | 0.000027 | 0.999973 | vote_mean | 0 | true | 0.444444 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | ROHFNLRQFUQHCH-YFKPBYRVSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>N[C@@H](CO)C(=O)O</SMILES>
Reported context:
- Species: human
Known estimated likelihood of a carcinogenic outcome: 100.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
Repo... | (B) | train | 967fc107b5459bb46ad187a0c693e31324d0b231cd622097cb46bcbd6fed9be7 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_C378E72095AE19BF32D9 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_C378E72095AE19BF32D9 | FFEARJCKVFRZRR-BYPYZUCNSA-N | MTCFGRXMJLQNBG-REOHCLBHSA-N | CSCC[C@H](N)C(=O)O | N[C@@H](CO)C(=O)O | species=human | species=human | external | external | [
"species=human"
] | [
"species=human"
] | exact_condition | 18 | 1 | 0.833333 | 1 | 0 | 1 | far | 0.166667 | 1 | 0.833333 | 0.40174 | {
"nontransfer": 0.9999999464738948,
"transfer": 5.3526105160367884e-8
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.833333 | 2.07431 | 0 | 0.40174 | 0 | 1 | vote_mean | 0 | true | 0.44 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | MTCFGRXMJLQNBG-REOHCLBHSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>NC(CO)C(=O)O</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 100.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
Reported... | (B) | train | 87014b37642c06b6bc959f6a1ec8676b4292661677db26b74daa34cfd69fe393 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_D2C0822A02044B913193 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_D2C0822A02044B913193 | FFEARJCKVFRZRR-BYPYZUCNSA-N | MTCFGRXMJLQNBG-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | NC(CO)C(=O)O | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 2 | 0.833333 | 1 | 0 | 1 | far | 0.166667 | 1 | 0.833333 | 0.40174 | {
"nontransfer": 0.9999999464738948,
"transfer": 5.3526105160367884e-8
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.833333 | 2.07431 | 0 | 0.40174 | 0 | 1 | vote_mean | 0 | true | 0.44 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | MTCFGRXMJLQNBG-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>N[C@@H](CSCCC(=O)O)C(=O)O</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 100.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMI... | (B) | train | fe341f2a6cb4c57b82e021019ea2d1c287ccd1342bc2add74b156c90b31cc438 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_967F8244C6B3ECDE70F5 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_967F8244C6B3ECDE70F5 | FFEARJCKVFRZRR-BYPYZUCNSA-N | FBPINGSGHKXIQA-BYPYZUCNSA-N | CSCC[C@H](N)C(=O)O | N[C@@H](CSCCC(=O)O)C(=O)O | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 2 | 0.833333 | 1 | 0 | 1 | far | 0.166667 | 1 | 0.833333 | 0.40174 | {
"nontransfer": 0.9999999464738948,
"transfer": 5.3526105160367884e-8
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.833333 | 2.07431 | 0 | 0.40174 | 0 | 1 | vote_mean | 0 | true | 0.433333 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | FBPINGSGHKXIQA-BYPYZUCNSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>N[C@@H](CC(=O)O)C(=O)O</SMILES>
Reported context:
- Species: human
Known estimated likelihood of a carcinogenic outcome: 100.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>... | (B) | train | 12cf83ae223603690afaaac1d168a0407eff61f6598e15729841e3f6ae78bce1 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_4CFE69E1AB0F2E3F77C9 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_4CFE69E1AB0F2E3F77C9 | FFEARJCKVFRZRR-BYPYZUCNSA-N | CKLJMWTZIZZHCS-REOHCLBHSA-N | CSCC[C@H](N)C(=O)O | N[C@@H](CC(=O)O)C(=O)O | species=human | species=human | external | external | [
"species=human"
] | [
"species=human"
] | exact_condition | 18 | 2 | 0.833333 | 1 | 0 | 1 | far | 0.166667 | 1 | 0.833333 | 0.40174 | {
"nontransfer": 0.9999999464738948,
"transfer": 5.3526105160367884e-8
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.833333 | 2.07431 | 0 | 0.40174 | 0 | 1 | vote_mean | 0 | true | 0.423077 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | CKLJMWTZIZZHCS-REOHCLBHSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>N[C@@H](CS)C(=O)O</SMILES>
Reported context:
- Species: human
Known estimated likelihood of a carcinogenic outcome: 60.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMILES>
Repor... | (B) | train | 77750a0f0614c14977e0042835adaa3b79c4c313179389e87a5cc55095364e5c | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_6B1CA0F77B738AD48454 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_6B1CA0F77B738AD48454 | FFEARJCKVFRZRR-BYPYZUCNSA-N | XUJNEKJLAYXESH-REOHCLBHSA-N | CSCC[C@H](N)C(=O)O | N[C@@H](CS)C(=O)O | species=human | species=human | external | external | [
"species=human"
] | [
"species=human"
] | exact_condition | 18 | 5 | 0.833333 | 0.6 | 0 | 1 | far | 0.166667 | 0.6 | 0.433333 | 0.40174 | {
"nontransfer": 0.9988722586530612,
"transfer": 0.0011277413469388577
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.433333 | 1.078641 | 0.001128 | 0.40174 | 0.001128 | 0.998872 | vote_mean | 0 | true | 0.423077 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | XUJNEKJLAYXESH-REOHCLBHSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>NC(=O)NCCC[C@H](N)C(=O)O</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 100.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMIL... | (B) | train | 64e75bb64fbc12b03838a3bec9a85ac37250c9f05047afc49c70438facc3bfd4 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_B15CA3B2FE126E81CF71 | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_B15CA3B2FE126E81CF71 | FFEARJCKVFRZRR-BYPYZUCNSA-N | RHGKLRLOHDJJDR-BYPYZUCNSA-N | CSCC[C@H](N)C(=O)O | NC(=O)NCCC[C@H](N)C(=O)O | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 1 | 0.833333 | 1 | 0 | 1 | far | 0.166667 | 1 | 0.833333 | 0.40174 | {
"nontransfer": 0.9999999464738948,
"transfer": 5.3526105160367884e-8
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.833333 | 2.07431 | 0 | 0.40174 | 0 | 1 | vote_mean | 0 | true | 0.40625 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | RHGKLRLOHDJJDR-BYPYZUCNSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>CCCCS(=N)(=O)CCC(N)C(=O)O</SMILES>
Reported context:
- Species: rodent
Known estimated likelihood of a carcinogenic outcome: 100.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMI... | (B) | train | 496b110869e28f8eea13bf9d46a257394b7e502f0f9b1c0f81dbd43e1996bb06 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_9155A9C05C2A0B895E1C | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_9155A9C05C2A0B895E1C | FFEARJCKVFRZRR-BYPYZUCNSA-N | KJQFBVYMGADDTQ-UHFFFAOYSA-N | CSCC[C@H](N)C(=O)O | CCCCS(=N)(=O)CCC(N)C(=O)O | species=human | species=rodent | external | external | [
"species=human"
] | [
"species=rodent"
] | different_external_condition | 18 | 2 | 0.833333 | 1 | 0 | 1 | far | 0.166667 | 1 | 0.833333 | 0.40174 | {
"nontransfer": 0.9999999464738948,
"transfer": 5.3526105160367884e-8
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.833333 | 2.07431 | 0 | 0.40174 | 0 | 1 | vote_mean | 0 | true | 0.4 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | KJQFBVYMGADDTQ-UHFFFAOYSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
You are comparing two molecules for experimentally observed carcinogenicity under the reported species and exposure context.
Molecule A
<SMILES>NC(=O)NCCCC[C@H](N)C(=O)O</SMILES>
Reported context:
- Species: human
Known estimated likelihood of a carcinogenic outcome: 100.0%
Molecule B
<SMILES>CSCC[C@H](N)C(=O)O</SMIL... | (B) | train | 71920dd94555e464e00dce189c4145ad2043f103aea7fb04bf7e40b57f1b19c8 | null | null | null | null | null | null | null | Carcinogens | carcinogens_gold_v1 | top_morgan_balanced_no_reverse | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_93BDBD7655A2A5B83ACA | CARCINOGENS_413238959E6C44560681 | CARCINOGENS_93BDBD7655A2A5B83ACA | FFEARJCKVFRZRR-BYPYZUCNSA-N | XIGSAGMEBXLVJJ-YFKPBYRVSA-N | CSCC[C@H](N)C(=O)O | NC(=O)NCCCC[C@H](N)C(=O)O | species=human | species=human | external | external | [
"species=human"
] | [
"species=human"
] | exact_condition | 18 | 1 | 0.833333 | 1 | 0 | 1 | far | 0.166667 | 1 | 0.833333 | 0.40174 | {
"nontransfer": 0.9999999464738948,
"transfer": 5.3526105160367884e-8
} | carcinogenicity | carcinogenicity | continuous | {
"calibration_sha256": "4396fc62bf50e067f2a5fb6b2b0bfd913808a774b50c0935e339a10d5880cff4",
"groups": {
"assay_concept": "carcinogenicity",
"measurement_kind": "continuous",
"query_condition_group": "species=human",
"query_condition_scope": "external",
"retrieval_strategy": "top_morgan_balanced_... | 0.833333 | 2.07431 | 0 | 0.40174 | 0 | 1 | vote_mean | 0 | true | 0.393939 | null | null | null | direct_context | null | FFEARJCKVFRZRR-BYPYZUCNSA-N | XIGSAGMEBXLVJJ-YFKPBYRVSA-N | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
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