The split of TDC.AqSol that TDC ADMET benchmark group evaluated on. The upstream dataset release is not catalogued here, so no claim is made that this matches its original splits.
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3 evaluations · 3 results. Different protocols are not a single leaderboard.
Applied filters: All linked evaluations
| Tested configuration | Protocol and dataset | Finding | Evidence and details |
|---|---|---|---|
| Method: CNN | Task: TDC ADMET benchmark group TDC-AQSOL: Absorption: TDC.AqSol Dataset subset: TDC.AqSol (TDC ADMET benchmark group split) | 1.023 ± 0.023 mae error · lower Uncertainty: type: reported_plus_minus_type_unresolved; value: 0.023 Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceCNN on TDC ADMET benchmark group TDC-AQSOL: Absorption: TDC.AqSol Scaffold split, as the ADMET benchmark group defines it. Table 4 reports a value and a plus-or-minus spread but does not identify the spread's statistical meaning. Aggregation: Not reported Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development · Table 4, block(Absorption), row(CNN), column(TDC.AqSol) |
| Method: Morgan + MLP | Task: TDC ADMET benchmark group TDC-AQSOL: Absorption: TDC.AqSol Dataset subset: TDC.AqSol (TDC ADMET benchmark group split) | 1.203 ± 0.019 mae error · lower Uncertainty: type: reported_plus_minus_type_unresolved; value: 0.019 Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceMorgan + MLP on TDC ADMET benchmark group TDC-AQSOL: Absorption: TDC.AqSol Scaffold split, as the ADMET benchmark group defines it. Table 4 reports a value and a plus-or-minus spread but does not identify the spread's statistical meaning. Aggregation: Not reported Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development · Table 4, block(Absorption), row(Morgan + MLP), column(TDC.AqSol) |
| Method: RDKit2D + MLP | Task: TDC ADMET benchmark group TDC-AQSOL: Absorption: TDC.AqSol Dataset subset: TDC.AqSol (TDC ADMET benchmark group split) | 0.827 ± 0.047 mae error · lower Uncertainty: type: reported_plus_minus_type_unresolved; value: 0.047 Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceRDKit2D + MLP on TDC ADMET benchmark group TDC-AQSOL: Absorption: TDC.AqSol Scaffold split, as the ADMET benchmark group defines it. Table 4 reports a value and a plus-or-minus spread but does not identify the spread's statistical meaning. Aggregation: Not reported Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development · Table 4, block(Absorption), row(RDKit2D + MLP), column(TDC.AqSol) |
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2 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| description The split of TDC.AqSol that TDC ADMET benchmark group evaluated on. The upstream dataset release is not catalogued here, so no claim is made that this matches its original splits. Context-only references | Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development No field-specific location recorded Version: arXiv 2102.09548v1; later NSF v2 discovery retrieved partially but full artifact unavailable | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| name TDC.AqSol (TDC ADMET benchmark group split) Context-only references | Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development No field-specific location recorded Version: arXiv 2102.09548v1; later NSF v2 discovery retrieved partially but full artifact unavailable | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
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Release 2026-09-29-06401fd5b220 · Record review: source checked
Stable ID: tdc-dataset-tdc-aqsol