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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CN(CCCCCCNc1ccnc2cc(Cl)ccc12)CCCCCCNc1ccnc2cc(Cl)ccc12</SMILES>
- Assay and readout: CCK-8 assay—cell viability/growth after 48 h, dose-response; fitted IC50
- Biological model ... | (B) | train | a8c033dd3f2e42abf649eac267c60b5b645f78e73d90d1a98cbf424391064b54 | -1 | null | -1 | null | null | null | dili | dili_v1 | degree_capped_parent_morgan_first.v27_general | dili:92f95b808aae809c9b129dfad02b4dc409d364ef2dc5204c863d23a313cd3802 | dili:795064593a144f842987fe139883e726ee410112f66fa04636fd15bf07cb7aa0 | dili:92f95b808aae809c9b129dfad02b4dc409d364ef2dc5204c863d23a313cd3802 | dili:795064593a144f842987fe139883e726ee410112f66fa04636fd15bf07cb7aa0 | XEFQLINVKFYRCS-UHFFFAOYSA-N | VJKCWFZTSDXOBS-UHFFFAOYSA-N | Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl | CN(CCCCCCNc1ccnc2cc(Cl)ccc12)CCCCCCNc1ccnc2cc(Cl)ccc12 | ["dili_v1","cell_viability","µM","__unknown__","CCK-8 cell viability/proliferation (2D planar)","human"] | ["dili_v1","cell_viability","µM","__unknown__","CCK-8 cell viability/proliferation (2D planar)","human"] | exact_intrinsic_v10_pair_bucket | exact_intrinsic_v10_pair_bucket | [
"assay_and_readout=CCK8-derived potency—LC50 for cell viability",
"biological_model_context=HepG2 hepatocellular carcinoma cell line, planar monolayer culture",
"canonical_assay_context=CCK-8 cell viability/proliferation (2D planar)",
"canonical_measurement_scale_id=__unknown__",
"canonical_species_context=... | [
"assay_and_readout=CCK-8 assay—cell viability/growth after 48 h, dose-response; fitted IC50",
"biological_model_context=Hep 3B human hepatocellular carcinoma cell line with high PPT1 expression, standard adherent culture",
"canonical_assay_context=CCK-8 cell viability/proliferation (2D planar)",
"canonical_me... | same_exact_intrinsic_v10_pair_bucket | 1 | 1 | null | null | null | null | far | 1.767156 | -0.221849 | 1.989005 | 0.879575 | {
"nontransfer": 0.9999999917516629,
"transfer": 8.248337084580646e-9
} | ["dili_v1","cell_viability","µM","__unknown__","CCK-8 cell viability/proliferation (2D planar)","human"] | L3 | continuous | {
"calibration_sha256": "cab318435033b2d1af231234577f85e53618859fd4df94ca37569497ba5ce7a7",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v1\",\"cell_viability\",\"µM\",\"__unknown__\",\"CCK-8 cell viability/proliferation (2D planar)\",\"human\"]"... | 57.9 | 2.261325 | 0 | 0.879575 | 0 | 1 | safety_general_calibrated.v27 | 0 | true | 0.163636 | -1 | -1 | -1 | indirect_record | ["dili_v1","cell_viability","µM","__unknown__","CCK-8 cell viability/proliferation (2D planar)","human"] | XEFQLINVKFYRCS-UHFFFAOYSA-N | VJKCWFZTSDXOBS-UHFFFAOYSA-N | c1ccc(Oc2ccccc2)cc1 | c1ccc2c(NCCCCCCNCCCCCCNc3ccnc4ccccc34)ccnc2c1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "58.5",
"display_unit_text": "µM",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 58.5,
"aggregate_max": 58.5,
"aggregate_q1": 58.5,
"aggregate_... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.6",
"display_unit_text": "µM",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.6,
"aggregate_max": 0.6,
"aggregate_q1": 0.6,
"aggregate_q3":... | 51 | 51 | 30 | id | nongold_train_reference.v27_general | log10 | {"assay_and_readout":"CCK8-derived potency\u2014LC50 for cell viability","biological_model_context":"HepG2 hepatocellular carcinoma cell line, planar monolayer culture","canonical_assay_context":"CCK-8 cell viability/proliferation (2D planar)","canonical_measurement_scale_id":"__unknown__","canonical_species_context":"... | {"assay_and_readout":"CCK-8 assay\u2014cell viability/growth after 48 h, dose-response; fitted IC50","biological_model_context":"Hep 3B human hepatocellular carcinoma cell line with high PPT1 expression, standard adherent culture","canonical_assay_context":"CCK-8 cell viability/proliferation (2D planar)","canonical_mea... | L3 | gold_v1_optional_provenance | sr_0590867c36f349dfaf06bdc3c12c3687 | sr_164089cc6faa4a8e8acbb7476c2d5fa8 | ["dili_v1","cell_viability","µM","__unknown__","CCK-8 cell viability/proliferation (2D planar)","human"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CCCC(CCC)C(=O)O</SMILES>
- Assay and platform: superoxide dismutase activity assay; liver tissue
- Biological model context: mouse (Mus musculus) liver tissue; in vivo
- Canonic... | (B) | train | e6d2adcaff4eaae36378264fab6c06ab6bf929a0215dde445be9e8c0318284d9 | -1 | null | -1 | null | null | null | dili | dili_v5 | degree_capped_parent_morgan_first.v27_general | dili:8540af739bc56624aea171aa8de64d930d8613728fcdd12fa25d181ba4aeb0fa | dili:feeb98c3bca82cdfe01ea850aa2b853dae3ca6b72a212d20878127d89255b14b | dili:8540af739bc56624aea171aa8de64d930d8613728fcdd12fa25d181ba4aeb0fa | dili:feeb98c3bca82cdfe01ea850aa2b853dae3ca6b72a212d20878127d89255b14b | GZCGUPFRVQAUEE-SLPGGIOYSA-N | NIJJYAXOARWZEE-UHFFFAOYSA-N | O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO | CCCC(CCC)C(=O)O | ["dili_v5","antioxidant_system","U/mg protein","__unknown__","SOD activity"] | ["dili_v5","antioxidant_system","U/mg protein","__unknown__","SOD activity"] | exact_intrinsic_v10_pair_bucket | exact_intrinsic_v10_pair_bucket | [
"assay_and_platform=total SOD enzyme activity assay; U/mg protein",
"biological_model_context=cultured DRG neurons (dorsal root ganglion)",
"canonical_assay_context=SOD activity",
"canonical_measurement_scale_id=__unknown__",
"endpoint_name=antioxidant_system",
"exposure_level=20 mM",
"exposure_unit=mM"... | [
"assay_and_platform=superoxide dismutase activity assay; liver tissue",
"biological_model_context=mouse (Mus musculus) liver tissue; in vivo",
"canonical_assay_context=SOD activity",
"canonical_measurement_scale_id=__unknown__",
"endpoint_name=antioxidant_system",
"quantitative_measure_type=absolute_endpo... | same_exact_intrinsic_v10_pair_bucket | 1 | 1 | null | null | null | null | far | 1.832509 | -0.522879 | 2.355388 | 0.754325 | {
"nontransfer": 0.9999999999984993,
"transfer": 1.5007015576651497e-12
} | ["dili_v5","antioxidant_system","U/mg protein","__unknown__","SOD activity"] | L7 | continuous | {
"calibration_sha256": "cab318435033b2d1af231234577f85e53618859fd4df94ca37569497ba5ce7a7",
"groups": {
"assay_concept": "L7",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v5\",\"antioxidant_system\",\"U/mg protein\",\"__unknown__\",\"SOD activity\"]",
"query_condition_scope":... | 67.7 | 3.122509 | 0 | 0.754325 | 0 | 1 | safety_general_calibrated.v27 | 0 | true | 0.129032 | -1 | -1 | -1 | indirect_record | ["dili_v5","antioxidant_system","U/mg protein","__unknown__","SOD activity"] | GZCGUPFRVQAUEE-SLPGGIOYSA-N | NIJJYAXOARWZEE-UHFFFAOYSA-N | parent:GZCGUPFRVQAUEE-SLPGGIOYSA-N | parent:NIJJYAXOARWZEE-UHFFFAOYSA-N | {
"aggregation_method": "individual_record",
"display_measurement_text": "68",
"display_unit_text": "U/mg protein",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 68,
"aggregate_max": 68,
"aggregate_q1": 68,
"aggregat... | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.3",
"display_unit_text": "U/mg protein",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.3,
"aggregate_max": 0.3,
"aggregate_q1": 0.3,
"aggr... | 109 | 108 | 61 | id | nongold_train_reference.v27_general | log10 | {"assay_and_platform":"total SOD enzyme activity assay; U/mg protein","biological_model_context":"cultured DRG neurons (dorsal root ganglion)","canonical_assay_context":"SOD activity","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect_direction":"increased","endpoint_name":"antioxidant_system","exp... | {"assay_and_platform":"superoxide dismutase activity assay; liver tissue","biological_model_context":"mouse (Mus musculus) liver tissue; in vivo","canonical_assay_context":"SOD activity","canonical_measurement_scale_id":"__unknown__","confidence":0.75,"effect_direction":"decreased","endpoint_name":"antioxidant_system",... | L7 | gold_v1_optional_provenance | sr_24b21275c33e48829a72bc2e36a21a20 | sr_1a0788b35521420e9d0e2dee9fdf73bb | ["dili_v5","antioxidant_system","U/mg protein","__unknown__","SOD activity"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O</SMILES>
- Assay and platform: GSH content assay; values... | (B) | train | 7fa8ac28a5cdd2b813a3a228dbba27b184ca0e9d8757c399d0e7be35ce0b9c0a | -1 | null | -1 | null | null | null | dili | dili_v5 | degree_capped_parent_morgan_first.v27_general | dili:89126bbcfdc11512c46615a739afa6c83f6efe697dd8708e423ccf01ee0cca53 | dili:00e9a3aa8c2dbd038f5e9d148b638ce2bd1faf5522272e81e33568fbbf4b8f70 | dili:89126bbcfdc11512c46615a739afa6c83f6efe697dd8708e423ccf01ee0cca53 | dili:00e9a3aa8c2dbd038f5e9d148b638ce2bd1faf5522272e81e33568fbbf4b8f70 | FSCWZHGZWWDELK-UHFFFAOYSA-N | DFPMSGMNTNDNHN-ZPHOTFPESA-N | C=CC1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O | C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | ["dili_v5","glutathione_thiol_redox","nmol/mg protein","__unknown__","GSH content normalized to protein"] | ["dili_v5","glutathione_thiol_redox","nmol/mg protein","__unknown__","GSH content normalized to protein"] | exact_intrinsic_v10_pair_bucket | exact_intrinsic_v10_pair_bucket | [
"assay_and_platform=GSH content measurement; HepG2 homogenates; results expressed as nmol/mg protein",
"biological_model_context=HepG2 cells; Homo sapiens",
"canonical_assay_context=GSH content normalized to protein",
"canonical_measurement_scale_id=__unknown__",
"endpoint_name=glutathione_thiol_redox",
"... | [
"assay_and_platform=GSH content assay; values reported as nmol/mg protein",
"biological_model_context=L6 myoblast cells; Rattus norvegicus",
"canonical_assay_context=GSH content normalized to protein",
"canonical_measurement_scale_id=__unknown__",
"endpoint_name=glutathione_thiol_redox",
"exposure_level=1... | same_exact_intrinsic_v10_pair_bucket | 1 | 1 | null | null | null | null | far | 0.954243 | 1.436322 | 0.482079 | 0.590618 | {
"nontransfer": 0.9846668868029597,
"transfer": 0.01533311319704038
} | ["dili_v5","glutathione_thiol_redox","nmol/mg protein","__unknown__","GSH content normalized to protein"] | L7 | continuous | {
"calibration_sha256": "cab318435033b2d1af231234577f85e53618859fd4df94ca37569497ba5ce7a7",
"groups": {
"assay_concept": "L7",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v5\",\"glutathione_thiol_redox\",\"nmol/mg protein\",\"__unknown__\",\"GSH content normalized to protein\"]",... | 18.31 | 0.816229 | 0.015333 | 0.590618 | 0.015333 | 0.984667 | safety_general_calibrated.v27 | 0 | true | 0.090909 | -1 | -1 | -1 | indirect_record | ["dili_v5","glutathione_thiol_redox","nmol/mg protein","__unknown__","GSH content normalized to protein"] | FSCWZHGZWWDELK-UHFFFAOYSA-N | DFPMSGMNTNDNHN-ZPHOTFPESA-N | O=C1COC(=O)N1c1ccccc1 | O=C1CC(c2ccccc2)Oc2cc(OC3OCCCC3OC3CCCCO3)ccc21 | {
"aggregation_method": "individual_record",
"display_measurement_text": "9",
"display_unit_text": "nmol/mg protein",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 9,
"aggregate_max": 9,
"aggregate_q1": 9,
"aggregate... | {
"aggregation_method": "individual_record",
"display_measurement_text": "27.31",
"display_unit_text": "nmol/mg protein",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 27.31,
"aggregate_max": 27.31,
"aggregate_q1": 27.... | 49 | 49 | 29 | id | nongold_train_reference.v27_general | log10 | {"assay_and_platform":"GSH content measurement; HepG2 homogenates; results expressed as nmol/mg protein","biological_model_context":"HepG2 cells; Homo sapiens","canonical_assay_context":"GSH content normalized to protein","canonical_measurement_scale_id":"__unknown__","confidence":0.8,"effect_direction":"decreased","en... | {"assay_and_platform":"GSH content assay; values reported as nmol/mg protein","biological_model_context":"L6 myoblast cells; Rattus norvegicus","canonical_assay_context":"GSH content normalized to protein","canonical_measurement_scale_id":"__unknown__","confidence":0.85,"effect_direction":"increased","endpoint_name":"g... | L7 | gold_v1_optional_provenance | sr_63474f95d8d14bb69a85bfb6012874c3 | sr_744b801b3a984f08a70a845bdf448357 | ["dili_v5","glutathione_thiol_redox","nmol/mg protein","__unknown__","GSH content normalized to protein"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12</SMILES>
- Assay and readout: MTT reduction assay—metabolic viability/anti... | (A) | train | 5b566de748499eccc96dae3c883df2a9e29f2706d0c991f22fe4a7ed9250af21 | -1 | null | -1 | null | null | null | dili | dili_v1 | degree_capped_parent_morgan_first.v27_general | dili:389967200a134f7f63c541bbeffb74c188d104fe921b4d511f6fc13db9ce5566 | dili:1ad3e16ab1b582088a77a4c2d1373f44c5a655fedfa629c9c8968279f747100b | dili:389967200a134f7f63c541bbeffb74c188d104fe921b4d511f6fc13db9ce5566 | dili:1ad3e16ab1b582088a77a4c2d1373f44c5a655fedfa629c9c8968279f747100b | OLUQMFYBNOJBQQ-UVTDQMKNSA-N | WCGUUGGRBIKTOS-GPOJBZKASA-N | C=CCCCCC/C=C\C(O)C#CC#CC(O)C=C | C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 | ["dili_v1","cell_viability","ug_per_ml","__unknown__","MTT cell viability assay","human"] | ["dili_v1","cell_viability","ug_per_ml","__unknown__","MTT cell viability assay","human"] | exact_intrinsic_v10_pair_bucket | exact_intrinsic_v10_pair_bucket | [
"assay_and_readout=MTT assay for cell viability—IC50 for cell killing",
"biological_model_context=human hepatocellular carcinoma cell line Hep-G2",
"canonical_assay_context=MTT cell viability assay",
"canonical_measurement_scale_id=__unknown__",
"canonical_species_context=human",
"culture_format=2d_planar... | [
"assay_and_readout=MTT reduction assay—metabolic viability/antiproliferative activity reported as IC50",
"biological_model_context=HepG2 human hepatocellular carcinoma (hepatocyte-like) cell line",
"canonical_assay_context=MTT cell viability assay",
"canonical_measurement_scale_id=__unknown__",
"canonical_s... | same_exact_intrinsic_v10_pair_bucket | 1 | 1 | null | null | null | null | near | 0.966611 | 1.080987 | 0.114376 | 0.944098 | {
"nontransfer": 0.0579479615642261,
"transfer": 0.9420520384357739
} | ["dili_v1","cell_viability","ug_per_ml","__unknown__","MTT cell viability assay","human"] | L3 | continuous | {
"calibration_sha256": "cab318435033b2d1af231234577f85e53618859fd4df94ca37569497ba5ce7a7",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v1\",\"cell_viability\",\"ug_per_ml\",\"__unknown__\",\"MTT cell viability assay\",\"human\"]",
"query_co... | 2.79 | 0.121148 | 0.942052 | 0.944098 | 0.942052 | 0.057948 | safety_general_calibrated.v27 | 1 | true | 0.012658 | -1 | -1 | -1 | indirect_record | ["dili_v1","cell_viability","ug_per_ml","__unknown__","MTT cell viability assay","human"] | OLUQMFYBNOJBQQ-UVTDQMKNSA-N | WCGUUGGRBIKTOS-GPOJBZKASA-N | parent:OLUQMFYBNOJBQQ-UVTDQMKNSA-N | C1=C2C3CCCCC3CCC2C2CCC3CCCCC3C2C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "9.26",
"display_unit_text": "ug_per_ml",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 9.26,
"aggregate_max": 9.26,
"aggregate_q1": 9.26,
"agg... | {
"aggregation_method": "individual_record",
"display_measurement_text": "12.05",
"display_unit_text": "ug_per_ml",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 12.05,
"aggregate_max": 12.05,
"aggregate_q1": 12.05,
... | 124 | 117 | 45 | id | nongold_train_reference.v27_general | log10 | {"assay_and_readout":"MTT assay for cell viability\u2014IC50 for cell killing","biological_model_context":"human hepatocellular carcinoma cell line Hep-G2","canonical_assay_context":"MTT cell viability assay","canonical_measurement_scale_id":"__unknown__","canonical_species_context":"human","concentration_unit":null,"c... | {"assay_and_readout":"MTT reduction assay\u2014metabolic viability/antiproliferative activity reported as IC50","biological_model_context":"HepG2 human hepatocellular carcinoma (hepatocyte-like) cell line","canonical_assay_context":"MTT cell viability assay","canonical_measurement_scale_id":"__unknown__","canonical_spe... | L3 | gold_v1_optional_provenance | sr_2333c397efa74af7b2f905a0ee6f46a2 | sr_6a48b7cb01844389bdba21759d5fbfce | ["dili_v1","cell_viability","ug_per_ml","__unknown__","MTT cell viability assay","human"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]12</SMILES>
- Assay and readout: MTT reduction assay—metabolic viability/growth as ... | (A) | train | 11cd23d6df439b2c0959ead3e2e3888e2b51344ea1b5dfbfe535f04d1a809914 | -1 | null | -1 | null | null | null | dili | dili_v1 | degree_capped_parent_morgan_first.v27_general | dili:12457e749c548570375145f0beb45b80b1d04cef1d6d79901fe22b132ae45c06 | dili:62cf3dd4312a1a74bf6de3a9fe0870ca0574ab2bdeedca15a6627fb927ae61ee | dili:12457e749c548570375145f0beb45b80b1d04cef1d6d79901fe22b132ae45c06 | dili:62cf3dd4312a1a74bf6de3a9fe0870ca0574ab2bdeedca15a6627fb927ae61ee | QGJZLNKBHJESQX-FZFNOLFKSA-N | TZVDWGXUGGUMCE-JVHXOXOBSA-N | C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 | C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]12 | ["dili_v1","cell_viability","ug_per_ml","__unknown__","MTT cell viability assay","human"] | ["dili_v1","cell_viability","ug_per_ml","__unknown__","MTT cell viability assay","human"] | exact_intrinsic_v10_pair_bucket | exact_intrinsic_v10_pair_bucket | [
"assay_and_readout=MTT reduction assay—metabolic viability/antiproliferative activity reported as IC50",
"biological_model_context=HepG2 human hepatocellular carcinoma (hepatocyte-like) cell line",
"canonical_assay_context=MTT cell viability assay",
"canonical_measurement_scale_id=__unknown__",
"canonical_s... | [
"assay_and_readout=MTT reduction assay—metabolic viability/growth as fraction of control",
"biological_model_context=HepG2 human hepatocellular carcinoma cell line, planar monolayer culture",
"canonical_assay_context=MTT cell viability assay",
"canonical_measurement_scale_id=__unknown__",
"canonical_species... | same_exact_intrinsic_v10_pair_bucket | 1 | 1 | null | null | null | null | near | 1.414973 | 1.39794 | 0.017033 | 0.944098 | {
"nontransfer": 0.021466092582504537,
"transfer": 0.9785339074174955
} | ["dili_v1","cell_viability","ug_per_ml","__unknown__","MTT cell viability assay","human"] | L3 | continuous | {
"calibration_sha256": "cab318435033b2d1af231234577f85e53618859fd4df94ca37569497ba5ce7a7",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v1\",\"cell_viability\",\"ug_per_ml\",\"__unknown__\",\"MTT cell viability assay\",\"human\"]",
"query_co... | 1 | 0.018042 | 0.978534 | 0.944098 | 0.978534 | 0.021466 | safety_general_calibrated.v27 | 1 | true | 0.24359 | -1 | -1 | -1 | indirect_record | ["dili_v1","cell_viability","ug_per_ml","__unknown__","MTT cell viability assay","human"] | QGJZLNKBHJESQX-FZFNOLFKSA-N | TZVDWGXUGGUMCE-JVHXOXOBSA-N | C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21 | C1=C2C(CCC3C2CCC2CCCCC23)C2CCCCC2C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "26",
"display_unit_text": "ug_per_ml",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 26,
"aggregate_max": 26,
"aggregate_q1": 26,
"aggregate_q... | {
"aggregation_method": "individual_record",
"display_measurement_text": "25",
"display_unit_text": "ug_per_ml",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 25,
"aggregate_max": 25,
"aggregate_q1": 25,
"aggregate_q... | 124 | 117 | 45 | id | nongold_train_reference.v27_general | log10 | {"assay_and_readout":"MTT reduction assay\u2014metabolic viability/antiproliferative activity reported as IC50","biological_model_context":"HepG2 human hepatocellular carcinoma (hepatocyte-like) cell line","canonical_assay_context":"MTT cell viability assay","canonical_measurement_scale_id":"__unknown__","canonical_spe... | {"assay_and_readout":"MTT reduction assay\u2014metabolic viability/growth as fraction of control","biological_model_context":"HepG2 human hepatocellular carcinoma cell line, planar monolayer culture","canonical_assay_context":"MTT cell viability assay","canonical_measurement_scale_id":"__unknown__","canonical_species_c... | L3 | gold_v1_optional_provenance | sr_f4925565d2e046cd81fe4bb8e9c4b53a | sr_f1e98013a5214bbb80e202d492514caf | ["dili_v1","cell_viability","ug_per_ml","__unknown__","MTT cell viability assay","human"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CCCCS(=N)(=O)CCC(N)C(=O)O</SMILES>
- Assay and platform: GSH/GSSG Nernst redox calculation from HPLC-determined GSH and GSSG
- Biological model context: hRPE retinal pigment epi... | (B) | train | 0943f74ad1d30c1bf0fa53e1b742ac0ade21a9e94ec2d8cf497f281e978d8c60 | -1 | null | -1 | null | null | null | dili | dili_v5 | degree_capped_parent_morgan_first.v27_general | dili:b6d2b6b5979d1fd1b2fb6cc100020de157536b9e108de4c4298ff7456f4dbb3a | dili:100ef43a80094424aad51e34d66d112d1439a19a4c5b7fca45995ea004861b01 | dili:b6d2b6b5979d1fd1b2fb6cc100020de157536b9e108de4c4298ff7456f4dbb3a | dili:100ef43a80094424aad51e34d66d112d1439a19a4c5b7fca45995ea004861b01 | HMFDVPSBWOHOAP-YUMQZZPRSA-N | KJQFBVYMGADDTQ-UHFFFAOYSA-N | CCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O | CCCCS(=N)(=O)CCC(N)C(=O)O | ["dili_v5","glutathione_thiol_redox","mV","__unknown__","GSH/GSSG redox potential"] | ["dili_v5","glutathione_thiol_redox","mV","__unknown__","GSH/GSSG redox potential"] | exact_intrinsic_v10_pair_bucket | exact_intrinsic_v10_pair_bucket | [
"assay_and_platform=Redox potential computed via Nernst equation",
"biological_model_context=HK-2 cells; Homo sapiens; human proximal tubular epithelial cell line",
"canonical_assay_context=GSH/GSSG redox potential",
"canonical_measurement_scale_id=__unknown__",
"endpoint_name=glutathione_thiol_redox",
"e... | [
"assay_and_platform=GSH/GSSG Nernst redox calculation from HPLC-determined GSH and GSSG",
"biological_model_context=hRPE retinal pigment epithelial cells; Homo sapiens",
"canonical_assay_context=GSH/GSSG redox potential",
"canonical_measurement_scale_id=__unknown__",
"endpoint_name=glutathione_thiol_redox",... | same_exact_intrinsic_v10_pair_bucket | 1 | 1 | null | null | null | null | far | -351.7 | -182 | 169.7 | 66.781036 | {
"nontransfer": 0.9999999994974901,
"transfer": 5.025099102101859e-10
} | ["dili_v5","glutathione_thiol_redox","mV","__unknown__","GSH/GSSG redox potential"] | L7 | continuous | {
"calibration_sha256": "cab318435033b2d1af231234577f85e53618859fd4df94ca37569497ba5ce7a7",
"groups": {
"assay_concept": "L7",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v5\",\"glutathione_thiol_redox\",\"mV\",\"__unknown__\",\"GSH/GSSG redox potential\"]",
"query_condition_... | 169.7 | 2.541141 | 0 | 66.781036 | 0 | 1 | safety_general_calibrated.v27 | 0 | true | 0.283019 | -1 | -1 | -1 | indirect_record | ["dili_v5","glutathione_thiol_redox","mV","__unknown__","GSH/GSSG redox potential"] | HMFDVPSBWOHOAP-YUMQZZPRSA-N | KJQFBVYMGADDTQ-UHFFFAOYSA-N | parent:HMFDVPSBWOHOAP-YUMQZZPRSA-N | parent:KJQFBVYMGADDTQ-UHFFFAOYSA-N | {
"aggregation_method": "individual_record",
"display_measurement_text": "-351.7",
"display_unit_text": "mV",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": -351.7,
"aggregate_max": -351.7,
"aggregate_q1": -351.7,
"ag... | {
"aggregation_method": "individual_record",
"display_measurement_text": "-182",
"display_unit_text": "mV",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": -182,
"aggregate_max": -182,
"aggregate_q1": -182,
"aggregate_... | 35 | 35 | 23 | id | nongold_train_reference.v27_general | identity | {"assay_and_platform":"Redox potential computed via Nernst equation","biological_model_context":"HK-2 cells; Homo sapiens; human proximal tubular epithelial cell line","canonical_assay_context":"GSH/GSSG redox potential","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect_direction":"decreased","end... | {"assay_and_platform":"GSH/GSSG Nernst redox calculation from HPLC-determined GSH and GSSG","biological_model_context":"hRPE retinal pigment epithelial cells; Homo sapiens","canonical_assay_context":"GSH/GSSG redox potential","canonical_measurement_scale_id":"__unknown__","confidence":0.85,"effect_direction":"increased... | L7 | gold_v1_optional_provenance | sr_7f2384effebe4ea79711ea9c7eee41f4 | sr_ff3643013ef245fea707ccacaf38a37d | ["dili_v5","glutathione_thiol_redox","mV","__unknown__","GSH/GSSG redox potential"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>C/C1=C2N=C(/C=C3N=C(/C(C)=C4\N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)NC[C@@H](C)OP(=O)(O)O[C@H]1[C@@H](O)[C@@H](n6cnc7cc(C)c(C)cc76)O[C@@H]1CO)[C@H]5CC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4... | (B) | train | 72a8aa43ca5b241353b328c93a8aa12adc01a5c283297d6cda298e6b138298cc | -1 | null | -1 | null | null | null | dili | dili_v1 | degree_capped_parent_morgan_first.v27_general | dili:83be0ac12403f17a860c2e15aea5b4f431a493afd5d861544351bc6cfef8046e | dili:06aef0bb76c214b57959590fa9a4b44f813f3cc12dec6da1fddfaab0edf7649e | dili:83be0ac12403f17a860c2e15aea5b4f431a493afd5d861544351bc6cfef8046e | dili:06aef0bb76c214b57959590fa9a4b44f813f3cc12dec6da1fddfaab0edf7649e | MLDQJTXFUGDVEO-UHFFFAOYSA-N | XLFLNLAIJULEFF-DIMOMALJSA-N | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | C/C1=C2N=C(/C=C3N=C(/C(C)=C4\N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)NC[C@@H](C)OP(=O)(O)O[C@H]1[C@@H](O)[C@@H](n6cnc7cc(C)c(C)cc76)O[C@@H]1CO)[C@H]5CC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]\3CCC(N)=O)C(C)(C)[C@@H]/2CCC(N)=O | ["dili_v1","cell_viability","ug_per_ml","__unknown__","MTT cell viability assay","human"] | ["dili_v1","cell_viability","ug_per_ml","__unknown__","MTT cell viability assay","human"] | exact_intrinsic_v10_pair_bucket | exact_intrinsic_v10_pair_bucket | [
"assay_and_readout=MTT reduction assay—metabolic cell viability with IC50 derived from dose-response curves",
"biological_model_context=Human hepatocellular carcinoma HepG2 cell line (hepatocyte-derived hepatic cell line), 2D monolayer",
"canonical_assay_context=MTT cell viability assay",
"canonical_measureme... | [
"assay_and_readout=MTT colorimetric viability assay—metabolic viability relative to untreated control",
"biological_model_context=HepG2 human hepatocyte carcinoma cell line, adherent monolayer culture",
"canonical_assay_context=MTT cell viability assay",
"canonical_measurement_scale_id=__unknown__",
"canoni... | same_exact_intrinsic_v10_pair_bucket | 1 | 1 | null | null | null | null | far | 0.690196 | 1.833975 | 1.143779 | 0.944098 | {
"nontransfer": 0.9997010833229698,
"transfer": 0.00029891667703024066
} | ["dili_v1","cell_viability","ug_per_ml","__unknown__","MTT cell viability assay","human"] | L3 | continuous | {
"calibration_sha256": "cab318435033b2d1af231234577f85e53618859fd4df94ca37569497ba5ce7a7",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v1\",\"cell_viability\",\"ug_per_ml\",\"__unknown__\",\"MTT cell viability assay\",\"human\"]",
"query_co... | 63.33 | 1.211505 | 0.000299 | 0.944098 | 0.000299 | 0.999701 | safety_general_calibrated.v27 | 0 | true | 0.109677 | -1 | -1 | -1 | indirect_record | ["dili_v1","cell_viability","ug_per_ml","__unknown__","MTT cell viability assay","human"] | MLDQJTXFUGDVEO-UHFFFAOYSA-N | XLFLNLAIJULEFF-DIMOMALJSA-N | O=C(Nc1ccccc1)Nc1ccc(Oc2ccncc2)cc1 | O=C(CCC1CC2N=C1C=C1CCC(=N1)C=C1CCC(=N1)C=C1CCC2N1)NCCO[PH](=O)OC1COC(n2cnc3ccccc32)C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "4.9",
"display_unit_text": "ug_per_ml",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 4.9,
"aggregate_max": 4.9,
"aggregate_q1": 4.9,
"aggrega... | {
"aggregation_method": "individual_record",
"display_measurement_text": "68.23",
"display_unit_text": "ug_per_ml",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 68.23,
"aggregate_max": 68.23,
"aggregate_q1": 68.23,
... | 124 | 117 | 45 | id | nongold_train_reference.v27_general | log10 | {"assay_and_readout":"MTT reduction assay\u2014metabolic cell viability with IC50 derived from dose-response curves","biological_model_context":"Human hepatocellular carcinoma HepG2 cell line (hepatocyte-derived hepatic cell line), 2D monolayer","canonical_assay_context":"MTT cell viability assay","canonical_measuremen... | {"assay_and_readout":"MTT colorimetric viability assay\u2014metabolic viability relative to untreated control","biological_model_context":"HepG2 human hepatocyte carcinoma cell line, adherent monolayer culture","canonical_assay_context":"MTT cell viability assay","canonical_measurement_scale_id":"__unknown__","canonica... | L3 | gold_v1_optional_provenance | sr_3927dba0eafb4d488b65a7b7d93b1a98 | sr_08b434ab761641b5bca0f3b7976317cd | ["dili_v1","cell_viability","ug_per_ml","__unknown__","MTT cell viability assay","human"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](OC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)/C=C/C(=O)O1</SMILES>
- Assay and readout: MTT assay—half-inhibitory concentration (IC50) reducing hep... | (B) | train | 383d30950d100039a970b10243e5609e58d9b489f89a5a65360b806e2a0960bd | -1 | null | -1 | null | null | null | dili | dili_v1 | degree_capped_parent_morgan_first.v27_general | dili:4b21c8230c101fea8520a1067fbd3e45ea843f73ccb361f3833c76f837b00e9f | dili:251722dab42a83b34187e040105e742c14134831d36ac31b193a29e97fe71311 | dili:4b21c8230c101fea8520a1067fbd3e45ea843f73ccb361f3833c76f837b00e9f | dili:251722dab42a83b34187e040105e742c14134831d36ac31b193a29e97fe71311 | WBBVXGHSWZIJST-RLQYZCPESA-N | JPQVUQUOYSKBKT-LKYPHMJISA-N | C=C1[C@@H](O)[C@]2(O)OC[C@]34[C@H]2[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2C[C@H]3OC(=O)C[C@@H]14 | C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](OC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)/C=C/C(=O)O1 | ["dili_v1","cell_viability","µM","__unknown__","MTT cell viability assay","human"] | ["dili_v1","cell_viability","µM","__unknown__","MTT cell viability assay","human"] | exact_intrinsic_v10_pair_bucket | exact_intrinsic_v10_pair_bucket | [
"assay_and_readout=MTT reduction assay—cell viability/growth",
"biological_model_context=human hepatic cancer cell line HepG2",
"canonical_assay_context=MTT cell viability assay",
"canonical_measurement_scale_id=__unknown__",
"canonical_species_context=human",
"culture_format=2d_planar",
"endpoint_name=... | [
"assay_and_readout=MTT assay—half-inhibitory concentration (IC50) reducing hepatocyte viability",
"biological_model_context=human hepatocellular carcinoma cell line Bel-7402; cell line",
"canonical_assay_context=MTT cell viability assay",
"canonical_measurement_scale_id=__unknown__",
"canonical_species_cont... | same_exact_intrinsic_v10_pair_bucket | 1 | 1 | null | null | null | null | far | -0.20204 | 0.285557 | 0.487598 | 0.835918 | {
"nontransfer": 0.8621285855796206,
"transfer": 0.13787141442037942
} | ["dili_v1","cell_viability","µM","__unknown__","MTT cell viability assay","human"] | L3 | continuous | {
"calibration_sha256": "cab318435033b2d1af231234577f85e53618859fd4df94ca37569497ba5ce7a7",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v1\",\"cell_viability\",\"µM\",\"__unknown__\",\"MTT cell viability assay\",\"human\"]",
"query_condition... | 1.302 | 0.583308 | 0.137871 | 0.835918 | 0.137871 | 0.862129 | safety_general_calibrated.v27 | 0 | true | 0.12037 | -1 | -1 | -1 | indirect_record | ["dili_v1","cell_viability","µM","__unknown__","MTT cell viability assay","human"] | WBBVXGHSWZIJST-RLQYZCPESA-N | JPQVUQUOYSKBKT-LKYPHMJISA-N | C=C1CC2OCC34C(CC5C=CC(=O)CC5C23)OC(=O)CC14 | O=C1C=CC(OC(=O)CCCc2ccccc2)C2CCCC2C=CCCCCO1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.628",
"display_unit_text": "µM",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.628,
"aggregate_max": 0.628,
"aggregate_q1": 0.628,
"aggreg... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.93",
"display_unit_text": "µM",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.93,
"aggregate_max": 1.93,
"aggregate_q1": 1.93,
"aggregate_... | 532 | 515 | 341 | id | nongold_train_reference.v27_general | log10 | {"assay_and_readout":"MTT reduction assay\u2014cell viability/growth","biological_model_context":"human hepatic cancer cell line HepG2","canonical_assay_context":"MTT cell viability assay","canonical_measurement_scale_id":"__unknown__","canonical_species_context":"human","concentration_unit":null,"concentration_values"... | {"assay_and_readout":"MTT assay\u2014half-inhibitory concentration (IC50) reducing hepatocyte viability","biological_model_context":"human hepatocellular carcinoma cell line Bel-7402; cell line","canonical_assay_context":"MTT cell viability assay","canonical_measurement_scale_id":"__unknown__","canonical_species_contex... | L3 | gold_v1_optional_provenance | sr_37b49f106b88447db0bdd01830471325 | sr_ddca17aa659647f5b48835486846891a | ["dili_v1","cell_viability","µM","__unknown__","MTT cell viability assay","human"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C</SMILES>
- Assay and platform: glutathione peroxidase activity (U/mg protein)
- Biological model context: culture... | (B) | train | 78d0023ef9d95aea74d3ec6c1e5d9294cd832a485f67fb9de52a0f895f47e647 | -1 | null | -1 | null | null | null | dili | dili_v5 | degree_capped_parent_morgan_first.v27_general | dili:591638427ee04738baa319f32992d2f76761c8a1d218341ea75e2db76dc9a1b3 | dili:26fa17747b55d907c71c242b5db14c9e6aab940295a232284108bc10947e0a9e | dili:591638427ee04738baa319f32992d2f76761c8a1d218341ea75e2db76dc9a1b3 | dili:26fa17747b55d907c71c242b5db14c9e6aab940295a232284108bc10947e0a9e | SDHTXBWLVGWJFT-XKCURVIJSA-N | RJKFOVLPORLFTN-LEKSSAKUSA-N | C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O | CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C | ["dili_v5","antioxidant_system","U/mg protein","__unknown__","glutathione peroxidase (GPx) activity"] | ["dili_v5","antioxidant_system","U/mg protein","__unknown__","glutathione peroxidase (GPx) activity"] | exact_intrinsic_v10_pair_bucket | exact_intrinsic_v10_pair_bucket | [
"assay_and_platform=glutathione peroxidase activity assay; U per mg protein",
"biological_model_context=NGF-differentiated PC12 cells; rat pheochromocytoma cell line",
"canonical_assay_context=glutathione peroxidase (GPx) activity",
"canonical_measurement_scale_id=__unknown__",
"endpoint_name=antioxidant_sy... | [
"assay_and_platform=glutathione peroxidase activity (U/mg protein)",
"biological_model_context=cultured rat hepatic stellate cells (HSCs); Rattus norvegicus; serum-free DMEM",
"canonical_assay_context=glutathione peroxidase (GPx) activity",
"canonical_measurement_scale_id=__unknown__",
"endpoint_name=antiox... | same_exact_intrinsic_v10_pair_bucket | 1 | 1 | null | null | null | null | far | 1.78533 | 0.041393 | 1.743937 | 0.834377 | {
"nontransfer": 0.9999999542957099,
"transfer": 4.5704290088308575e-8
} | ["dili_v5","antioxidant_system","U/mg protein","__unknown__","glutathione peroxidase (GPx) activity"] | L7 | continuous | {
"calibration_sha256": "cab318435033b2d1af231234577f85e53618859fd4df94ca37569497ba5ce7a7",
"groups": {
"assay_concept": "L7",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v5\",\"antioxidant_system\",\"U/mg protein\",\"__unknown__\",\"glutathione peroxidase (GPx) activity\"]",
... | 59.9 | 2.090107 | 0 | 0.834377 | 0 | 1 | safety_general_calibrated.v27 | 0 | true | 0.173333 | -1 | -1 | -1 | indirect_record | ["dili_v5","antioxidant_system","U/mg protein","__unknown__","glutathione peroxidase (GPx) activity"] | SDHTXBWLVGWJFT-XKCURVIJSA-N | RJKFOVLPORLFTN-LEKSSAKUSA-N | C=C1C(=O)C23CC1CCC2C12CCCCC1CC3OC2 | O=C1C=C2CCC3C4CCCC4CCC3C2CC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "61",
"display_unit_text": "U/mg protein",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 61,
"aggregate_max": 61,
"aggregate_q1": 61,
"aggregat... | {
"aggregation_method": "individual_record",
"display_measurement_text": "1.1",
"display_unit_text": "U/mg protein",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 1.1,
"aggregate_max": 1.1,
"aggregate_q1": 1.1,
"aggr... | 68 | 68 | 31 | id | nongold_train_reference.v27_general | log10 | {"assay_and_platform":"glutathione peroxidase activity assay; U per mg protein","biological_model_context":"NGF-differentiated PC12 cells; rat pheochromocytoma cell line","canonical_assay_context":"glutathione peroxidase (GPx) activity","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect_direction":... | {"assay_and_platform":"glutathione peroxidase activity (U/mg protein)","biological_model_context":"cultured rat hepatic stellate cells (HSCs); Rattus norvegicus; serum-free DMEM","canonical_assay_context":"glutathione peroxidase (GPx) activity","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect_dir... | L7 | gold_v1_optional_provenance | sr_77a83c461eb04e0187af4ec3a3c98600 | sr_f6d3f491af954d01be24b9ebda867db2 | ["dili_v5","antioxidant_system","U/mg protein","__unknown__","glutathione peroxidase (GPx) activity"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO</SMILES>
- Assay and platform: GSH/GSSG distinguished by 2-vinylpyridine derivatization (Griffith method) after total glutathione measurem... | (B) | train | e01cc5ccdb4cc7d2306f1de226eb4ee37bb55a8c4ab36ed06c7b45bf76a8ebe3 | -1 | null | -1 | null | null | null | dili | dili_v5 | degree_capped_parent_morgan_first.v27_general | dili:7fc0f995e6608e32a9d2a626fe7799b4f50ed64d66bd3c25dd4500d48d22e999 | dili:28e2bcaa4b846d956a3c947ceba662113c763233c26bda9d5fcafa7f5f78465c | dili:7fc0f995e6608e32a9d2a626fe7799b4f50ed64d66bd3c25dd4500d48d22e999 | dili:28e2bcaa4b846d956a3c947ceba662113c763233c26bda9d5fcafa7f5f78465c | IKHGUXGNUITLKF-UHFFFAOYSA-N | GZCGUPFRVQAUEE-SLPGGIOYSA-N | CC=O | O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO | ["dili_v5","glutathione_thiol_redox","nmol/mg protein","__unknown__","reduced glutathione (GSH) level"] | ["dili_v5","glutathione_thiol_redox","nmol/mg protein","__unknown__","reduced glutathione (GSH) level"] | exact_intrinsic_v10_pair_bucket | exact_intrinsic_v10_pair_bucket | [
"assay_and_platform=glutathione content assay; biochemical spectrophotometric quantification normalized to protein",
"biological_model_context=HepG2 (Hep-G2) cells; Homo sapiens",
"canonical_assay_context=reduced glutathione (GSH) level",
"canonical_measurement_scale_id=__unknown__",
"endpoint_name=glutathi... | [
"assay_and_platform=GSH/GSSG distinguished by 2-vinylpyridine derivatization (Griffith method) after total glutathione measurement (Andersen)",
"biological_model_context=MCF-7/ADR cells (NCI-ADR-RES); Homo sapiens",
"canonical_assay_context=reduced glutathione (GSH) level",
"canonical_measurement_scale_id=__u... | same_exact_intrinsic_v10_pair_bucket | 1 | 1 | null | null | null | null | far | 28 | 10.9 | 17.1 | 24.515131 | {
"nontransfer": 0.9514449674542149,
"transfer": 0.04855503254578514
} | ["dili_v5","glutathione_thiol_redox","nmol/mg protein","__unknown__","reduced glutathione (GSH) level"] | L7 | continuous | {
"calibration_sha256": "cab318435033b2d1af231234577f85e53618859fd4df94ca37569497ba5ce7a7",
"groups": {
"assay_concept": "L7",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v5\",\"glutathione_thiol_redox\",\"nmol/mg protein\",\"__unknown__\",\"reduced glutathione (GSH) level\"]",
... | 17.1 | 0.697528 | 0.048555 | 24.515131 | 0.048555 | 0.951445 | safety_general_calibrated.v27 | 0 | true | 0.136364 | -1 | -1 | -1 | indirect_record | ["dili_v5","glutathione_thiol_redox","nmol/mg protein","__unknown__","reduced glutathione (GSH) level"] | IKHGUXGNUITLKF-UHFFFAOYSA-N | GZCGUPFRVQAUEE-SLPGGIOYSA-N | parent:IKHGUXGNUITLKF-UHFFFAOYSA-N | parent:GZCGUPFRVQAUEE-SLPGGIOYSA-N | {
"aggregation_method": "individual_record",
"display_measurement_text": "28",
"display_unit_text": "nmol/mg protein",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 28,
"aggregate_max": 28,
"aggregate_q1": 28,
"aggre... | {
"aggregation_method": "individual_record",
"display_measurement_text": "10.9",
"display_unit_text": "nmol/mg protein",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 10.9,
"aggregate_max": 10.9,
"aggregate_q1": 10.9,
... | 24 | 24 | 18 | id | nongold_train_reference.v27_general | identity | {"assay_and_platform":"glutathione content assay; biochemical spectrophotometric quantification normalized to protein","biological_model_context":"HepG2 (Hep-G2) cells; Homo sapiens","canonical_assay_context":"reduced glutathione (GSH) level","canonical_measurement_scale_id":"__unknown__","confidence":0.95,"effect_dire... | {"assay_and_platform":"GSH/GSSG distinguished by 2-vinylpyridine derivatization (Griffith method) after total glutathione measurement (Andersen)","biological_model_context":"MCF-7/ADR cells (NCI-ADR-RES); Homo sapiens","canonical_assay_context":"reduced glutathione (GSH) level","canonical_measurement_scale_id":"__unkno... | L7 | gold_v1_optional_provenance | sr_ee36c39985cc4bb9bf0d3e42710a96fe | sr_26ce4a2033504a5eab2a0fee83224f88 | ["dili_v5","glutathione_thiol_redox","nmol/mg protein","__unknown__","reduced glutathione (GSH) level"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1</SMILES>
- Assay and readout: MTT reduction assay—absorbance at 540 nm, viability as percentage of control cells
- ... | (B) | train | c7bcd127ce1a6bb44001f0da9497146ea39a58e3db8be3f52e554f4be7392609 | -1 | null | -1 | null | null | null | dili | dili_v1 | degree_capped_parent_morgan_first.v27_general | dili:0c8616ac1435b3ed09a611fc1f0e0d368fe05fe27fa331b3d248e083ff92905f | dili:3c367c5ac7b31c336bc7e52db6016355707dcb22ca913ab4d550aa7418c77f37 | dili:0c8616ac1435b3ed09a611fc1f0e0d368fe05fe27fa331b3d248e083ff92905f | dili:3c367c5ac7b31c336bc7e52db6016355707dcb22ca913ab4d550aa7418c77f37 | CKRZDIUOUCGSBK-YBKKDXPLSA-N | XMAYWYJOQHXEEK-UHFFFAOYSA-N | COC(=O)c1ccc([C@H]2C3Nc4ccccc4C3C[C@H](C(=O)OC)N2C(=O)CCl)cc1 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | ["dili_v1","cell_viability","µM","__unknown__","MTT reduction cell viability assay","human"] | ["dili_v1","cell_viability","µM","__unknown__","MTT reduction cell viability assay","human"] | exact_intrinsic_v10_pair_bucket | exact_intrinsic_v10_pair_bucket | [
"assay_and_readout=MTT assay—metabolic viability, IC50 for RSL3-induced cell death",
"biological_model_context=HepG2 hepatocellular carcinoma cell line (human); described as highly differentiated",
"canonical_assay_context=MTT reduction cell viability assay",
"canonical_measurement_scale_id=__unknown__",
"c... | [
"assay_and_readout=MTT reduction assay—absorbance at 540 nm, viability as percentage of control cells",
"biological_model_context=AZ-AHR human AhR gene reporter cell line, 96-well plates, stabilized 16 h; DMSO 0.1% v/v vehicle",
"canonical_assay_context=MTT reduction cell viability assay",
"canonical_measurem... | same_exact_intrinsic_v10_pair_bucket | 1 | 1 | null | null | null | null | far | -1.154902 | 1.827369 | 2.982271 | 1.028824 | {
"nontransfer": 0.999999999985933,
"transfer": 1.4066923647192648e-11
} | ["dili_v1","cell_viability","µM","__unknown__","MTT reduction cell viability assay","human"] | L3 | continuous | {
"calibration_sha256": "cab318435033b2d1af231234577f85e53618859fd4df94ca37569497ba5ce7a7",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v1\",\"cell_viability\",\"µM\",\"__unknown__\",\"MTT reduction cell viability assay\",\"human\"]",
"query... | 67.13 | 2.898719 | 0 | 1.028824 | 0 | 1 | safety_general_calibrated.v27 | 0 | true | 0.138889 | -1 | -1 | -1 | indirect_record | ["dili_v1","cell_viability","µM","__unknown__","MTT reduction cell viability assay","human"] | CKRZDIUOUCGSBK-YBKKDXPLSA-N | XMAYWYJOQHXEEK-UHFFFAOYSA-N | c1ccc(C2NCCC3c4ccccc4NC32)cc1 | c1ccc(C2(Cn3ccnc3)OCC(COc3ccc(N4CCNCC4)cc3)O2)cc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "0.07",
"display_unit_text": "µM",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 0.07,
"aggregate_max": 0.07,
"aggregate_q1": 0.07,
"aggregate_... | {
"aggregation_method": "individual_record",
"display_measurement_text": "67.2",
"display_unit_text": "µM",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 67.2,
"aggregate_max": 67.2,
"aggregate_q1": 67.2,
"aggregate_... | 156 | 152 | 101 | id | nongold_train_reference.v27_general | log10 | {"assay_and_readout":"MTT assay\u2014metabolic viability, IC50 for RSL3-induced cell death","biological_model_context":"HepG2 hepatocellular carcinoma cell line (human); described as highly differentiated","canonical_assay_context":"MTT reduction cell viability assay","canonical_measurement_scale_id":"__unknown__","can... | {"assay_and_readout":"MTT reduction assay\u2014absorbance at 540 nm, viability as percentage of control cells","biological_model_context":"AZ-AHR human AhR gene reporter cell line, 96-well plates, stabilized 16 h; DMSO 0.1% v/v vehicle","canonical_assay_context":"MTT reduction cell viability assay","canonical_measureme... | L3 | gold_v1_optional_provenance | sr_e9ca37efad0a41ac9a12ea7a43ab9501 | sr_4ccea4fc34b941c58183ccb32cccee20 | ["dili_v1","cell_viability","µM","__unknown__","MTT reduction cell viability assay","human"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12</SMILES>
- Assay and readout: MTT reduction assay—concentration inh... | (B) | train | 9529ca0f627a75385fac1827b766d1e47bdafb9abdb6cb515baabfcf2a6dadab | -1 | null | -1 | null | null | null | dili | dili_v1 | degree_capped_parent_morgan_first.v27_general | dili:f0a85d273f492c7fed86a836ef7b3022137cedf29d170521bf964b64bd1c50f6 | dili:4582d1e997f9f2a816a7d6a7cff1ebcbe5a79ed21f003da9baecf7543edad619 | dili:f0a85d273f492c7fed86a836ef7b3022137cedf29d170521bf964b64bd1c50f6 | dili:4582d1e997f9f2a816a7d6a7cff1ebcbe5a79ed21f003da9baecf7543edad619 | FXVWIIDBSNOQDD-SRGXSZKGSA-N | HXWLKAXCQLXHML-WGOZWDAUSA-N | C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(COC(=O)c6cccc(Cl)c6)[C@@H]5CC[C@]43C)[C@@H]12 | C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12 | ["dili_v1","cell_viability","µM","__unknown__","MTT cell viability assay","human"] | ["dili_v1","cell_viability","µM","__unknown__","MTT cell viability assay","human"] | exact_intrinsic_v10_pair_bucket | exact_intrinsic_v10_pair_bucket | [
"assay_and_readout=MTT reduction assay—concentration inhibiting 50% cell growth (IC50)",
"biological_model_context=L-O2 human normal liver cell line, monolayer culture",
"canonical_assay_context=MTT cell viability assay",
"canonical_measurement_scale_id=__unknown__",
"canonical_species_context=human",
"cu... | [
"assay_and_readout=MTT reduction assay—concentration inhibiting 50% cell growth (IC50)",
"biological_model_context=HepG2 human hepatocellular carcinoma liver cell line, monolayer culture",
"canonical_assay_context=MTT cell viability assay",
"canonical_measurement_scale_id=__unknown__",
"canonical_species_co... | same_exact_intrinsic_v10_pair_bucket | 1 | 1 | null | null | null | null | far | 1.337659 | 1.856366 | 0.518707 | 0.835918 | {
"nontransfer": 0.900719619691959,
"transfer": 0.09928038030804094
} | ["dili_v1","cell_viability","µM","__unknown__","MTT cell viability assay","human"] | L3 | continuous | {
"calibration_sha256": "cab318435033b2d1af231234577f85e53618859fd4df94ca37569497ba5ce7a7",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v1\",\"cell_viability\",\"µM\",\"__unknown__\",\"MTT cell viability assay\",\"human\"]",
"query_condition... | 50.08 | 0.620525 | 0.09928 | 0.835918 | 0.09928 | 0.90072 | safety_general_calibrated.v27 | 0 | true | 0.64 | -1 | -1 | -1 | indirect_record | ["dili_v1","cell_viability","µM","__unknown__","MTT cell viability assay","human"] | FXVWIIDBSNOQDD-SRGXSZKGSA-N | HXWLKAXCQLXHML-WGOZWDAUSA-N | O=C(OCC1CCCC2C1CCC1C3CCC4CCCC4C3CCC21)c1ccccc1 | C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21 | {
"aggregation_method": "individual_record",
"display_measurement_text": "21.76",
"display_unit_text": "µM",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 21.76,
"aggregate_max": 21.76,
"aggregate_q1": 21.76,
"aggreg... | {
"aggregation_method": "individual_record",
"display_measurement_text": "71.84",
"display_unit_text": "µM",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 71.84,
"aggregate_max": 71.84,
"aggregate_q1": 71.84,
"aggreg... | 532 | 515 | 341 | id | nongold_train_reference.v27_general | log10 | {"assay_and_readout":"MTT reduction assay\u2014concentration inhibiting 50% cell growth (IC50)","biological_model_context":"L-O2 human normal liver cell line, monolayer culture","canonical_assay_context":"MTT cell viability assay","canonical_measurement_scale_id":"__unknown__","canonical_species_context":"human","conce... | {"assay_and_readout":"MTT reduction assay\u2014concentration inhibiting 50% cell growth (IC50)","biological_model_context":"HepG2 human hepatocellular carcinoma liver cell line, monolayer culture","canonical_assay_context":"MTT cell viability assay","canonical_measurement_scale_id":"__unknown__","canonical_species_cont... | L3 | gold_v1_optional_provenance | sr_5c38e1435e5946fb8861afe592854e1d | sr_ccace709ca374e53bad56976b94002da | ["dili_v1","cell_viability","µM","__unknown__","MTT cell viability assay","human"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)N5CCN(C(=S)Nc6ccc(F)c(Cl)c6)CC5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C</SMILES>
- Assay and readout: MTT reduct... | (B) | train | 1c7f4682b377f60cd6035f87eb0a41da1388825476c0e0bf0b939265b2fa7887 | -1 | null | -1 | null | null | null | dili | dili_v1 | degree_capped_parent_morgan_first.v27_general | dili:ff04736134d6dcd8df5fa38cba529f925f9d8622b3ab01b4104f36bbb81839df | dili:5ef8040437f53f93e273814806b4149dd5a33c3a7714e4495f91031b79fd2470 | dili:ff04736134d6dcd8df5fa38cba529f925f9d8622b3ab01b4104f36bbb81839df | dili:5ef8040437f53f93e273814806b4149dd5a33c3a7714e4495f91031b79fd2470 | QGZKDVFQNNGYKY-UHFFFAOYSA-N | QUGHOXFYCAFCRY-MDCRTDJZSA-N | N | CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)N5CCN(C(=S)Nc6ccc(F)c(Cl)c6)CC5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C | ["dili_v1","cell_viability","µM","__unknown__","MTT cell viability assay","human"] | ["dili_v1","cell_viability","µM","__unknown__","MTT cell viability assay","human"] | exact_intrinsic_v10_pair_bucket | exact_intrinsic_v10_pair_bucket | [
"assay_and_readout=MTT reduction assay—metabolic viability, IC50 (Table 1)",
"biological_model_context=LO2 (L-02) human normal liver (hepatocyte) cell line",
"canonical_assay_context=MTT cell viability assay",
"canonical_measurement_scale_id=__unknown__",
"canonical_species_context=human",
"culture_format... | [
"assay_and_readout=MTT reduction assay—cell viability/proliferation as IC50",
"biological_model_context=HepG2 human hepatocyte cancer cell line grown as monolayer",
"canonical_assay_context=MTT cell viability assay",
"canonical_measurement_scale_id=__unknown__",
"canonical_species_context=human",
"culture... | same_exact_intrinsic_v10_pair_bucket | 1 | 1 | null | null | null | null | far | 1.004321 | 1.813448 | 0.809126 | 0.835918 | {
"nontransfer": 0.9965963480889962,
"transfer": 0.0034036519110037865
} | ["dili_v1","cell_viability","µM","__unknown__","MTT cell viability assay","human"] | L3 | continuous | {
"calibration_sha256": "cab318435033b2d1af231234577f85e53618859fd4df94ca37569497ba5ce7a7",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v1\",\"cell_viability\",\"µM\",\"__unknown__\",\"MTT cell viability assay\",\"human\"]",
"query_condition... | 54.98 | 0.96795 | 0.003404 | 0.835918 | 0.003404 | 0.996596 | safety_general_calibrated.v27 | 0 | true | 0 | -1 | -1 | -1 | indirect_record | ["dili_v1","cell_viability","µM","__unknown__","MTT cell viability assay","human"] | QGZKDVFQNNGYKY-UHFFFAOYSA-N | QUGHOXFYCAFCRY-MDCRTDJZSA-N | parent:QGZKDVFQNNGYKY-UHFFFAOYSA-N | O=C(N1CCN(C(=S)Nc2ccccc2)CC1)C12CCCCC1C1=CCC3C4CCCCC4CCC3C1CC2 | {
"aggregation_method": "individual_record",
"display_measurement_text": "10.1",
"display_unit_text": "µM",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 10.1,
"aggregate_max": 10.1,
"aggregate_q1": 10.1,
"aggregate_... | {
"aggregation_method": "individual_record",
"display_measurement_text": "65.08",
"display_unit_text": "µM",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 65.08,
"aggregate_max": 65.08,
"aggregate_q1": 65.08,
"aggreg... | 532 | 515 | 341 | id | nongold_train_reference.v27_general | log10 | {"assay_and_readout":"MTT reduction assay\u2014metabolic viability, IC50 (Table 1)","biological_model_context":"LO2 (L-02) human normal liver (hepatocyte) cell line","canonical_assay_context":"MTT cell viability assay","canonical_measurement_scale_id":"__unknown__","canonical_species_context":"human","concentration_uni... | {"assay_and_readout":"MTT reduction assay\u2014cell viability/proliferation as IC50","biological_model_context":"HepG2 human hepatocyte cancer cell line grown as monolayer","canonical_assay_context":"MTT cell viability assay","canonical_measurement_scale_id":"__unknown__","canonical_species_context":"human","concentrat... | L3 | gold_v1_optional_provenance | sr_8e36e6e882f843609c5177690be03bb3 | sr_56873accba3c4ef598b69af4d6dfb2cc | ["dili_v1","cell_viability","µM","__unknown__","MTT cell viability assay","human"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O</SMILES>
- Assay and platform: Glutathione peroxidase activity assay
- Biological model context: rat (Rattus norvegicus) li... | (B) | train | e97f17e470c807a3dc87db4d2dd41af3e96178714f7526b09010ee2e4404c761 | -1 | null | -1 | null | null | null | dili | dili_v5 | degree_capped_parent_morgan_first.v27_general | dili:3ed7b8dcc44705c48d3df95b05eb8b9fa6df3b648171e7446c99c5b1710f28a9 | dili:fba0e9ceb016895e18550c9fbf8a9b06e5adc1eeeb05581846fc5a9606494d10 | dili:3ed7b8dcc44705c48d3df95b05eb8b9fa6df3b648171e7446c99c5b1710f28a9 | dili:fba0e9ceb016895e18550c9fbf8a9b06e5adc1eeeb05581846fc5a9606494d10 | OEBRKCOSUFCWJD-UHFFFAOYSA-N | DOUMFZQKYFQNTF-WUTVXBCWSA-N | COP(=O)(OC)OC=C(Cl)Cl | O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O | ["dili_v5","antioxidant_system","U/mg protein","__unknown__","glutathione peroxidase (GPx) activity"] | ["dili_v5","antioxidant_system","U/mg protein","__unknown__","glutathione peroxidase (GPx) activity"] | exact_intrinsic_v10_pair_bucket | exact_intrinsic_v10_pair_bucket | [
"assay_and_platform=Glutathione peroxidase activity assay; liver homogenate",
"biological_model_context=Rat liver homogenate; Rattus norvegicus; in vivo DDVP hepatotoxicity model; 5 animals per group",
"canonical_assay_context=glutathione peroxidase (GPx) activity",
"canonical_measurement_scale_id=__unknown__... | [
"assay_and_platform=Glutathione peroxidase activity assay",
"biological_model_context=rat (Rattus norvegicus) liver tissue; in vivo, oral dosing by gastric tube",
"canonical_assay_context=glutathione peroxidase (GPx) activity",
"canonical_measurement_scale_id=__unknown__",
"endpoint_name=antioxidant_system"... | same_exact_intrinsic_v10_pair_bucket | 1 | 1 | null | null | null | null | far | 1.350248 | 2.262451 | 0.912203 | 0.834377 | {
"nontransfer": 0.9990256322819415,
"transfer": 0.0009743677180585207
} | ["dili_v5","antioxidant_system","U/mg protein","__unknown__","glutathione peroxidase (GPx) activity"] | L2 | continuous | {
"calibration_sha256": "cab318435033b2d1af231234577f85e53618859fd4df94ca37569497ba5ce7a7",
"groups": {
"assay_concept": "L2",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v5\",\"antioxidant_system\",\"U/mg protein\",\"__unknown__\",\"glutathione peroxidase (GPx) activity\"]",
... | 160.6 | 1.093275 | 0.000974 | 0.834377 | 0.000974 | 0.999026 | safety_general_calibrated.v27 | 0 | true | 0.072727 | -1 | -1 | -1 | indirect_record | ["dili_v5","antioxidant_system","U/mg protein","__unknown__","glutathione peroxidase (GPx) activity"] | OEBRKCOSUFCWJD-UHFFFAOYSA-N | DOUMFZQKYFQNTF-WUTVXBCWSA-N | parent:OEBRKCOSUFCWJD-UHFFFAOYSA-N | O=C(C=Cc1ccccc1)OCCc1ccccc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "22.4",
"display_unit_text": "U/mg protein",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 22.4,
"aggregate_max": 22.4,
"aggregate_q1": 22.4,
"... | {
"aggregation_method": "individual_record",
"display_measurement_text": "183",
"display_unit_text": "U/mg protein",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 183,
"aggregate_max": 183,
"aggregate_q1": 183,
"aggr... | 68 | 68 | 31 | id | nongold_train_reference.v27_general | log10 | {"assay_and_platform":"Glutathione peroxidase activity assay; liver homogenate","biological_model_context":"Rat liver homogenate; Rattus norvegicus; in vivo DDVP hepatotoxicity model; 5 animals per group","canonical_assay_context":"glutathione peroxidase (GPx) activity","canonical_measurement_scale_id":"__unknown__","c... | {"assay_and_platform":"Glutathione peroxidase activity assay","biological_model_context":"rat (Rattus norvegicus) liver tissue; in vivo, oral dosing by gastric tube","canonical_assay_context":"glutathione peroxidase (GPx) activity","canonical_measurement_scale_id":"__unknown__","confidence":0.92,"effect_direction":"inc... | L2 | gold_v1_optional_provenance | sr_520ca08dc691434981699e97632d6b23 | sr_5eda8e9c56e348e18295bcac8aff45b4 | ["dili_v5","antioxidant_system","U/mg protein","__unknown__","glutathione peroxidase (GPx) activity"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O</SMILES>
- Assay and readout: MTT reduction assay—cell proliferation/viability, IC50
- Biological model context: HepG2 human he... | (A) | train | c8cb5dad24b0603f5d5fb91e40f4a9b12c257edd200cd13048e0d9be6f23c102 | -1 | null | -1 | null | null | null | dili | dili_v1 | degree_capped_parent_morgan_first.v27_general | dili:06bec6bea011c1d28eadec6d1400498313f2b5192c4b68e8aebc4c5dab52d1df | dili:b5560cd21f8621feb251bfb87c211f017dabaee9caa5b5ffa35700f554584638 | dili:06bec6bea011c1d28eadec6d1400498313f2b5192c4b68e8aebc4c5dab52d1df | dili:b5560cd21f8621feb251bfb87c211f017dabaee9caa5b5ffa35700f554584638 | WOSKHXYHFSIKNG-UHFFFAOYSA-N | VFLDPWHFBUODDF-FCXRPNKRSA-N | COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O | COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O | ["dili_v1","cell_viability","ug_per_ml","__unknown__","MTT cell viability assay","human"] | ["dili_v1","cell_viability","ug_per_ml","__unknown__","MTT cell viability assay","human"] | exact_intrinsic_v10_pair_bucket | exact_intrinsic_v10_pair_bucket | [
"assay_and_readout=MTT assay—cell viability",
"biological_model_context=Hep3B hepatocellular carcinoma cell line, 2D monolayer culture",
"canonical_assay_context=MTT cell viability assay",
"canonical_measurement_scale_id=__unknown__",
"canonical_species_context=human",
"concentration_unit=ug_per_ml",
"c... | [
"assay_and_readout=MTT reduction assay—cell proliferation/viability, IC50",
"biological_model_context=HepG2 human hepatoma (liver carcinoma) cell line",
"canonical_assay_context=MTT cell viability assay",
"canonical_measurement_scale_id=__unknown__",
"canonical_species_context=human",
"culture_format=2d_p... | same_exact_intrinsic_v10_pair_bucket | 1 | 1 | null | null | null | null | near | 1.614897 | 1.246991 | 0.367907 | 0.944098 | {
"nontransfer": 0.47425023238240704,
"transfer": 0.525749767617593
} | ["dili_v1","cell_viability","ug_per_ml","__unknown__","MTT cell viability assay","human"] | L3 | continuous | {
"calibration_sha256": "cab318435033b2d1af231234577f85e53618859fd4df94ca37569497ba5ce7a7",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v1\",\"cell_viability\",\"ug_per_ml\",\"__unknown__\",\"MTT cell viability assay\",\"human\"]",
"query_co... | 23.54 | 0.389691 | 0.52575 | 0.944098 | 0.52575 | 0.47425 | safety_general_calibrated.v27 | 1 | false | 0.184211 | -1 | -1 | -1 | indirect_record | ["dili_v1","cell_viability","ug_per_ml","__unknown__","MTT cell viability assay","human"] | WOSKHXYHFSIKNG-UHFFFAOYSA-N | VFLDPWHFBUODDF-FCXRPNKRSA-N | O=C(Nc1ccc(Oc2ccnc3ccccc23)cc1)NC1CC1 | O=C(C=Cc1ccccc1)CC(=O)C=Cc1ccccc1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "41.2",
"display_unit_text": "ug_per_ml",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 41.2,
"aggregate_max": 41.2,
"aggregate_q1": 41.2,
"agg... | {
"aggregation_method": "individual_record",
"display_measurement_text": "17.66",
"display_unit_text": "ug_per_ml",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 17.66,
"aggregate_max": 17.66,
"aggregate_q1": 17.66,
... | 124 | 117 | 45 | id | nongold_train_reference.v27_general | log10 | {"assay_and_readout":"MTT assay\u2014cell viability","biological_model_context":"Hep3B hepatocellular carcinoma cell line, 2D monolayer culture","canonical_assay_context":"MTT cell viability assay","canonical_measurement_scale_id":"__unknown__","canonical_species_context":"human","concentration_unit":"ug_per_ml","conce... | {"assay_and_readout":"MTT reduction assay\u2014cell proliferation/viability, IC50","biological_model_context":"HepG2 human hepatoma (liver carcinoma) cell line","canonical_assay_context":"MTT cell viability assay","canonical_measurement_scale_id":"__unknown__","canonical_species_context":"human","concentration_unit":nu... | L3 | gold_v1_optional_provenance | sr_3284c7190a004c6398f0bb9b9d0fb6af | sr_ced0cb4d44b44b2499e0a52752a63aca | ["dili_v1","cell_viability","ug_per_ml","__unknown__","MTT cell viability assay","human"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>COC1=C(OC)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O</SMILES>
- Assay and platform: GSH/GSSG measurement with Nernst equation calculation of Eh
- Biological mod... | (B) | train | aa8c3d47ff1f399839a008f588bd1209f126c1a0bac43f63414268b918ace259 | -1 | null | -1 | null | null | null | dili | dili_v5 | degree_capped_parent_morgan_first.v27_general | dili:12c0eb8afab3727606b8f1cc75f038f0c142cdff194cafd6b4cd46e877129561 | dili:aa8d3d13bf4709e27eb152ff1db1b400cbba2df2e8afdfae5f599c0d3b156ae5 | dili:12c0eb8afab3727606b8f1cc75f038f0c142cdff194cafd6b4cd46e877129561 | dili:aa8d3d13bf4709e27eb152ff1db1b400cbba2df2e8afdfae5f599c0d3b156ae5 | MDKCFLQDBWCQCV-UHFFFAOYSA-N | OIIMUKXVVLRCAF-UHFFFAOYSA-N | S=C=NCc1ccccc1 | COC1=C(OC)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O | ["dili_v5","glutathione_thiol_redox","mV","__unknown__","GSH/GSSG redox potential"] | ["dili_v5","glutathione_thiol_redox","mV","__unknown__","GSH/GSSG redox potential"] | exact_intrinsic_v10_pair_bucket | exact_intrinsic_v10_pair_bucket | [
"assay_and_platform=GSH and GSSG measurement combined with Nernst equation (Eh = Eo + (RT/2F)ln([GSSG]/[GSH]^2)) using measured cell volume and cell pH",
"biological_model_context=HT29 cells (differentiated); Homo sapiens",
"canonical_assay_context=GSH/GSSG redox potential",
"canonical_measurement_scale_id=__... | [
"assay_and_platform=GSH/GSSG measurement with Nernst equation calculation of Eh",
"biological_model_context=CEM cells; Homo sapiens; ρ+ (mitochondrial) clone",
"canonical_assay_context=GSH/GSSG redox potential",
"canonical_measurement_scale_id=__unknown__",
"endpoint_name=glutathione_thiol_redox",
"quanti... | same_exact_intrinsic_v10_pair_bucket | 1 | 1 | null | null | null | null | far | -160 | -132 | 28 | 66.781036 | {
"nontransfer": 0.5480529991466261,
"transfer": 0.4519470008533739
} | ["dili_v5","glutathione_thiol_redox","mV","__unknown__","GSH/GSSG redox potential"] | L7 | continuous | {
"calibration_sha256": "cab318435033b2d1af231234577f85e53618859fd4df94ca37569497ba5ce7a7",
"groups": {
"assay_concept": "L7",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v5\",\"glutathione_thiol_redox\",\"mV\",\"__unknown__\",\"GSH/GSSG redox potential\"]",
"query_condition_... | 28 | 0.419281 | 0.451947 | 66.781036 | 0.451947 | 0.548053 | safety_general_calibrated.v27 | 0 | false | 0.14 | -1 | -1 | -1 | indirect_record | ["dili_v5","glutathione_thiol_redox","mV","__unknown__","GSH/GSSG redox potential"] | MDKCFLQDBWCQCV-UHFFFAOYSA-N | OIIMUKXVVLRCAF-UHFFFAOYSA-N | c1ccccc1 | O=C1C=CC(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "-160",
"display_unit_text": "mV",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": -160,
"aggregate_max": -160,
"aggregate_q1": -160,
"aggregate_... | {
"aggregation_method": "individual_record",
"display_measurement_text": "-132",
"display_unit_text": "mV",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": -132,
"aggregate_max": -132,
"aggregate_q1": -132,
"aggregate_... | 35 | 35 | 23 | id | nongold_train_reference.v27_general | identity | {"assay_and_platform":"GSH and GSSG measurement combined with Nernst equation (Eh = Eo + (RT/2F)ln([GSSG]/[GSH]^2)) using measured cell volume and cell pH","biological_model_context":"HT29 cells (differentiated); Homo sapiens","canonical_assay_context":"GSH/GSSG redox potential","canonical_measurement_scale_id":"__unkn... | {"assay_and_platform":"GSH/GSSG measurement with Nernst equation calculation of Eh","biological_model_context":"CEM cells; Homo sapiens; \u03c1+ (mitochondrial) clone","canonical_assay_context":"GSH/GSSG redox potential","canonical_measurement_scale_id":"__unknown__","confidence":0.8,"effect_direction":"no_change","end... | L7 | gold_v1_optional_provenance | sr_43632b9c25e443faa4445b6ca82ca034 | sr_57cdc965e6be4d89b71cb6a91a4e723d | ["dili_v5","glutathione_thiol_redox","mV","__unknown__","GSH/GSSG redox potential"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>NC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1</SMILES>
- Assay and readout: CCK-8 assay—cell viability/metabolic activity after dose-escalation
- Biologi... | (A) | train | f2448efafa241c1261544a16c97cbf24ef11b86f4415a1d3abcb184f2abdf89e | -1 | null | -1 | null | null | null | dili | dili_v1 | degree_capped_parent_morgan_first.v27_general | dili:b0ee654d9c3fcfbf7c2ceee8eb37bb5112457acfeaca1bd982cdc50312e396c4 | dili:cc4bfc893cc63303bbe19b4cf86ebe65e7cf3145ffb372b352c9a5671ade4b61 | dili:b0ee654d9c3fcfbf7c2ceee8eb37bb5112457acfeaca1bd982cdc50312e396c4 | dili:cc4bfc893cc63303bbe19b4cf86ebe65e7cf3145ffb372b352c9a5671ade4b61 | CRCHRNHFHJDFAA-FCXRPNKRSA-N | DHMTURDWPRKSOA-RUZDIDTESA-N | COc1cc(/C=C/C(=O)CC(=O)/C=C/C2CC=C(O)C(OC)C2)ccc1O | NC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1 | ["dili_v1","cell_viability","µM","__unknown__","WST-8/CCK-8 cell viability/proliferation assay","human"] | ["dili_v1","cell_viability","µM","__unknown__","WST-8/CCK-8 cell viability/proliferation assay","human"] | exact_intrinsic_v10_pair_bucket | exact_intrinsic_v10_pair_bucket | [
"assay_and_readout=CCK8 assay—cell viability (colorimetric)",
"biological_model_context=Huh7 human liver cancer cell line",
"canonical_assay_context=WST-8/CCK-8 cell viability/proliferation assay",
"canonical_measurement_scale_id=__unknown__",
"canonical_species_context=human",
"concentration_unit=umol_pe... | [
"assay_and_readout=CCK-8 assay—cell viability/metabolic activity after dose-escalation",
"biological_model_context=HepG2 hepatocellular carcinoma cell line",
"canonical_assay_context=WST-8/CCK-8 cell viability/proliferation assay",
"canonical_measurement_scale_id=__unknown__",
"canonical_species_context=hum... | same_exact_intrinsic_v10_pair_bucket | 1 | 1 | null | null | null | null | near | 25.15 | 15.6 | 9.55 | 39.656639 | {
"nontransfer": 0.1691268375445638,
"transfer": 0.8308731624554362
} | ["dili_v1","cell_viability","µM","__unknown__","WST-8/CCK-8 cell viability/proliferation assay","human"] | L3 | continuous | {
"calibration_sha256": "cab318435033b2d1af231234577f85e53618859fd4df94ca37569497ba5ce7a7",
"groups": {
"assay_concept": "L3",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v1\",\"cell_viability\",\"µM\",\"__unknown__\",\"WST-8/CCK-8 cell viability/proliferation assay\",\"human\"]"... | 9.55 | 0.240817 | 0.830873 | 39.656639 | 0.830873 | 0.169127 | safety_general_calibrated.v27 | 1 | true | 0.10101 | -1 | -1 | -1 | indirect_record | ["dili_v1","cell_viability","µM","__unknown__","WST-8/CCK-8 cell viability/proliferation assay","human"] | CRCHRNHFHJDFAA-FCXRPNKRSA-N | DHMTURDWPRKSOA-RUZDIDTESA-N | O=C(C=Cc1ccccc1)CC(=O)C=CC1CC=CCC1 | O=C(CC1CCNCC1)N1CCC(C2c3ccccc3CCc3cccnc32)CC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "25.15",
"display_unit_text": "µM",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 25.15,
"aggregate_max": 25.15,
"aggregate_q1": 25.15,
"aggreg... | {
"aggregation_method": "individual_record",
"display_measurement_text": "15.6",
"display_unit_text": "µM",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 15.6,
"aggregate_max": 15.6,
"aggregate_q1": 15.6,
"aggregate_... | 48 | 48 | 16 | id | nongold_train_reference.v27_general | identity | {"assay_and_readout":"CCK8 assay\u2014cell viability (colorimetric)","biological_model_context":"Huh7 human liver cancer cell line","canonical_assay_context":"WST-8/CCK-8 cell viability/proliferation assay","canonical_measurement_scale_id":"__unknown__","canonical_species_context":"human","concentration_unit":"umol_per... | {"assay_and_readout":"CCK-8 assay\u2014cell viability/metabolic activity after dose-escalation","biological_model_context":"HepG2 hepatocellular carcinoma cell line","canonical_assay_context":"WST-8/CCK-8 cell viability/proliferation assay","canonical_measurement_scale_id":"__unknown__","canonical_species_context":"hum... | L3 | gold_v1_optional_provenance | sr_e5ddc3005e234a748f0f64ebb8cf9fb2 | sr_42635824086244a8ab53837912cae413 | ["dili_v1","cell_viability","µM","__unknown__","WST-8/CCK-8 cell viability/proliferation assay","human"] | |
You are comparing two experiments selected from similar assays.
The experimental details may differ.
Experiment A (known measurement)
<SMILES>N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H](CO)O[C@H]1O</SMILES>
- Assay and platform: GSH quantification; expressed in nmol/mg protein (assay chemi... | (A) | train | 37947affef8bf5e5b3d4b8d578fc2faf992f0def0192624be3e60555d91ea2fe | -1 | null | -1 | null | null | null | dili | dili_v5 | degree_capped_parent_morgan_first.v27_general | dili:6f819fc80c6cc5f93f067d01a33b427acd9a6bdc0b727fcd084235c40f6eb591 | dili:0119f0ae38ad2ba4f807c459f6b9f1899c8057eb72e3237b7b27c3d5cabebbec | dili:6f819fc80c6cc5f93f067d01a33b427acd9a6bdc0b727fcd084235c40f6eb591 | dili:0119f0ae38ad2ba4f807c459f6b9f1899c8057eb72e3237b7b27c3d5cabebbec | AOJJSUZBOXZQNB-TZSSRYMLSA-N | QLTSDROPCWIKKY-PMCTYKHCSA-N | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H](CO)O[C@H]1O | ["dili_v5","glutathione_thiol_redox","nmol/mg protein","__unknown__","reduced glutathione (GSH) level"] | ["dili_v5","glutathione_thiol_redox","nmol/mg protein","__unknown__","reduced glutathione (GSH) level"] | exact_intrinsic_v10_pair_bucket | exact_intrinsic_v10_pair_bucket | [
"assay_and_platform=glutathione content measurement; mean ± SD, n=3",
"biological_model_context=HepG2 human hepatoma cells; Homo sapiens; in vitro",
"canonical_assay_context=reduced glutathione (GSH) level",
"canonical_measurement_scale_id=__unknown__",
"endpoint_name=glutathione_thiol_redox",
"quantitati... | [
"assay_and_platform=GSH quantification; expressed in nmol/mg protein (assay chemistry and platform not specified in window)",
"biological_model_context=In vivo rat model of DOX-induced cardiotoxicity; 10 animals per group",
"canonical_assay_context=reduced glutathione (GSH) level",
"canonical_measurement_scal... | same_exact_intrinsic_v10_pair_bucket | 1 | 1 | null | null | null | null | near | 6.28 | 15.31 | 9.03 | 24.515131 | {
"nontransfer": 0.42151419516831434,
"transfer": 0.5784858048316857
} | ["dili_v5","glutathione_thiol_redox","nmol/mg protein","__unknown__","reduced glutathione (GSH) level"] | L7 | continuous | {
"calibration_sha256": "cab318435033b2d1af231234577f85e53618859fd4df94ca37569497ba5ce7a7",
"groups": {
"assay_concept": "L7",
"measurement_kind": "continuous",
"query_condition_group": "[\"dili_v5\",\"glutathione_thiol_redox\",\"nmol/mg protein\",\"__unknown__\",\"reduced glutathione (GSH) level\"]",
... | 9.03 | 0.368344 | 0.578486 | 24.515131 | 0.578486 | 0.421514 | safety_general_calibrated.v27 | 1 | false | 0.144444 | -1 | -1 | -1 | indirect_record | ["dili_v5","glutathione_thiol_redox","nmol/mg protein","__unknown__","reduced glutathione (GSH) level"] | AOJJSUZBOXZQNB-TZSSRYMLSA-N | QLTSDROPCWIKKY-PMCTYKHCSA-N | O=C1c2ccccc2C(=O)c2cc3c(cc21)CCCC3OC1CCCCO1 | C1CCC(OC2CCCOC2)OC1 | {
"aggregation_method": "individual_record",
"display_measurement_text": "6.28",
"display_unit_text": "nmol/mg protein",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 6.28,
"aggregate_max": 6.28,
"aggregate_q1": 6.28,
... | {
"aggregation_method": "individual_record",
"display_measurement_text": "15.31",
"display_unit_text": "nmol/mg protein",
"display_transform_id": "canonical_stage3.v10",
"source_record_count": 1,
"deduplicated_source_record_count": 1,
"aggregate_min": 15.31,
"aggregate_max": 15.31,
"aggregate_q1": 15.... | 24 | 24 | 18 | id | nongold_train_reference.v27_general | identity | {"assay_and_platform":"glutathione content measurement; mean \u00b1 SD, n=3","biological_model_context":"HepG2 human hepatoma cells; Homo sapiens; in vitro","canonical_assay_context":"reduced glutathione (GSH) level","canonical_measurement_scale_id":"__unknown__","confidence":0.9,"effect_direction":"decreased","endpoin... | {"assay_and_platform":"GSH quantification; expressed in nmol/mg protein (assay chemistry and platform not specified in window)","biological_model_context":"In vivo rat model of DOX-induced cardiotoxicity; 10 animals per group","canonical_assay_context":"reduced glutathione (GSH) level","canonical_measurement_scale_id":... | L7 | gold_v1_optional_provenance | sr_134190ab459746d2afbc147bda05bed8 | sr_28ba4163d61b45ac98edeed8a5c884fe | ["dili_v5","glutathione_thiol_redox","nmol/mg protein","__unknown__","reduced glutathione (GSH) level"] |
End of preview. Expand in Data Studio
DILI record-level V27-general
This level-agnostic release uses current V10 physical evidence and Gold-v1 parent-disjoint validation/test queries. Training pairs stay inside an intrinsic V10 assay bucket and cross normalized parents. Gold level is optional provenance, not a pairing or calibration boundary.
- support gate: at least 10 records and 4 parents
- variance ratio: undefined allowed; finite values above 0.75 excluded
- train record-role degree cap: 96
- ID/OOD validation and test query cap: 500 per regime
- ID ranking cap: 50; OOD ranking cap: 75
- display: semantic categorical adapter where defined, otherwise canonical V10 pair
Rows: {"test_ranking": {"files": ["part-00000.parquet"], "rows": 3027}, "train": {"files": ["part-00000.parquet"], "rows": 123958}, "validation_ranking": {"files": ["part-00000.parquet"], "rows": 3294}}
- Downloads last month
- 50