TDC ADMET benchmark group evaluation of Morgan + MLP on Toxicity: TDC.DILI, 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: Morgan + MLP | Task: TDC ADMET benchmark group TDC-DILI: Toxicity: TDC.DILI Dataset subset: TDC.DILI (TDC ADMET benchmark group split) | 0.832 ± 0.021 auroc fraction · higher Uncertainty: type: reported_plus_minus_type_unresolved; value: 0.021 Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceMorgan + MLP on TDC ADMET benchmark group TDC-DILI: Toxicity: TDC.DILI 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(Toxicity), row(Morgan + MLP), column(TDC.DILI) |
Source checking is not independent reproduction. Release 2026-09-29-06401fd5b220.
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(Toxicity), row(Morgan + MLP), column(TDC.DILI) 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-dili Context-only references | Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Table 4, block(Toxicity), row(Morgan + MLP), column(TDC.DILI) 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(Toxicity), row(Morgan + MLP), column(TDC.DILI) 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(Toxicity), row(Morgan + MLP), column(TDC.DILI) 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(Toxicity), row(Morgan + MLP), column(TDC.DILI) Context-only references | Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Table 4, block(Toxicity), row(Morgan + MLP), column(TDC.DILI) 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 Morgan + MLP on Toxicity: TDC.DILI, scored with AUROC. Context-only references | Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Table 4, block(Toxicity), row(Morgan + MLP), column(TDC.DILI) 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-dili Context-only references | Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Table 4, block(Toxicity), row(Morgan + MLP), column(TDC.DILI) 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-dili Context-only references | Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Table 4, block(Toxicity), row(Morgan + MLP), column(TDC.DILI) 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-morgan-plus-mlp Context-only references | Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Table 4, block(Toxicity), row(Morgan + MLP), column(TDC.DILI) 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 Morgan + MLP on TDC ADMET benchmark group TDC-DILI: Toxicity: TDC.DILI Context-only references | Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Table 4, block(Toxicity), row(Morgan + MLP), column(TDC.DILI) 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-morgan-plus-mlp-tdc-dili