TDC ADMET benchmark group evaluation of RDKit2D + MLP on Absorption: TDC.HIA, scored with AUROC.
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1 evaluation · 1 result. Different protocols are not a single leaderboard.
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| Tested configuration | Protocol and dataset | Finding | Evidence and details |
|---|---|---|---|
| Method: RDKit2D + MLP | Task: TDC ADMET benchmark group TDC-HIA: Absorption: TDC.HIA Dataset subset: TDC.HIA (TDC ADMET benchmark group split) | 0.972 ± 0.008 auroc fraction · higher Uncertainty: type: reported_plus_minus_type_unresolved; value: 0.008 Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceRDKit2D + MLP on TDC ADMET benchmark group TDC-HIA: Absorption: TDC.HIA 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.HIA) |
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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.
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10 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| attributes.comparison.metric_implementation AUROC Context-only references | Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Table 4, block(Absorption), row(RDKit2D + MLP), column(TDC.HIA) Version: arXiv 2102.09548v1; later NSF v2 discovery retrieved partially but full artifact unavailable | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| attributes.comparison.protocol_id tdc-task-tdc-hia Context-only references | Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Table 4, block(Absorption), row(RDKit2D + MLP), column(TDC.HIA) Version: arXiv 2102.09548v1; later NSF v2 discovery retrieved partially but full artifact unavailable | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| attributes.origin author_reported Context-only references | Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Table 4, block(Absorption), row(RDKit2D + MLP), column(TDC.HIA) Version: arXiv 2102.09548v1; later NSF v2 discovery retrieved partially but full artifact unavailable | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| attributes.protocol 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. Context-only references | Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Table 4, block(Absorption), row(RDKit2D + MLP), column(TDC.HIA) Version: arXiv 2102.09548v1; later NSF v2 discovery retrieved partially but full artifact unavailable | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| attributes.source_locator Table 4, block(Absorption), row(RDKit2D + MLP), column(TDC.HIA) Context-only references | Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Table 4, block(Absorption), row(RDKit2D + MLP), column(TDC.HIA) Version: arXiv 2102.09548v1; later NSF v2 discovery retrieved partially but full artifact unavailable | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| description TDC ADMET benchmark group evaluation of RDKit2D + MLP on Absorption: TDC.HIA, scored with AUROC. Context-only references | Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Table 4, block(Absorption), row(RDKit2D + MLP), column(TDC.HIA) Version: arXiv 2102.09548v1; later NSF v2 discovery retrieved partially but full artifact unavailable | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| Relationship: benchmark tdc-task-tdc-hia Context-only references | Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Table 4, block(Absorption), row(RDKit2D + MLP), column(TDC.HIA) Version: arXiv 2102.09548v1; later NSF v2 discovery retrieved partially but full artifact unavailable | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| Relationship: dataset tdc-dataset-tdc-hia Context-only references | Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Table 4, block(Absorption), row(RDKit2D + MLP), column(TDC.HIA) Version: arXiv 2102.09548v1; later NSF v2 discovery retrieved partially but full artifact unavailable | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| Relationship: model tdc-method-rdkit2d-plus-mlp Context-only references | Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Table 4, block(Absorption), row(RDKit2D + MLP), column(TDC.HIA) Version: arXiv 2102.09548v1; later NSF v2 discovery retrieved partially but full artifact unavailable | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| name RDKit2D + MLP on TDC ADMET benchmark group TDC-HIA: Absorption: TDC.HIA Context-only references | Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Table 4, block(Absorption), row(RDKit2D + MLP), column(TDC.HIA) Version: arXiv 2102.09548v1; later NSF v2 discovery retrieved partially but full artifact unavailable | not individually reviewed No individual claim review recorded author reported 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-evaluation-rdkit2d-plus-mlp-tdc-hia