Method

CNN

Convolutional neural network that predicts a molecular property from the molecule's SMILES string.

Overview

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Consult the linked sources for architecture or protocol details. Missing evidence is not evidence of a missing capability.

Evaluations and results

22 evaluations · 22 results. Different protocols are not a single leaderboard.

Sorted by AUROC (higher is better). The best value in each column is highlighted. Decimals are rounded for display; each value links to the printed value and its source.

Tested configuration	Protocol and dataset	AUROC	AUPRC	MAE	Spearman
CNNEvaluation	TDC ADMET benchmark group TDC-PGP: Absorption: TDC.Pgp, TDC.Pgp (TDC ADMET benchmark group split)	0.908 ± 0.012 (best in column)	Not reported	Not reported	Not reported
CNNEvaluation	TDC ADMET benchmark group TDC-HIA: Absorption: TDC.HIA, TDC.HIA (TDC ADMET benchmark group split)	0.869 ± 0.026	Not reported	Not reported	Not reported
CNNEvaluation	TDC ADMET benchmark group TDC-DILI: Toxicity: TDC.DILI, TDC.DILI (TDC ADMET benchmark group split)	0.792 ± 0.016	Not reported	Not reported	Not reported
CNNEvaluation	TDC ADMET benchmark group TDC-BBB: Distribution: TDC.BBB, TDC.BBB (TDC ADMET benchmark group split)	0.781 ± 0.030	Not reported	Not reported	Not reported
CNNEvaluation	TDC ADMET benchmark group TDC-AMES: Toxicity: TDC.AMES, TDC.AMES (TDC ADMET benchmark group split)	0.776 ± 0.015	Not reported	Not reported	Not reported
CNNEvaluation	TDC ADMET benchmark group TDC-HERG: Toxicity: TDC.hERG, TDC.hERG (TDC ADMET benchmark group split)	0.754 ± 0.037	Not reported	Not reported	Not reported
CNNEvaluation	TDC ADMET benchmark group TDC-CYP3A4-SUBSTRATE: Metabolism: TDC.CYP3A4 Substrate, TDC.CYP3A4 Substrate (TDC ADMET benchmark group split)	0.662 ± 0.031	Not reported	Not reported	Not reported
CNNEvaluation	TDC ADMET benchmark group TDC-BIOAV: Absorption: TDC.Bioav, TDC.Bioav (TDC ADMET benchmark group split)	0.613 ± 0.013	Not reported	Not reported	Not reported
CNNEvaluation	TDC ADMET benchmark group TDC-AQSOL: Absorption: TDC.AqSol, TDC.AqSol (TDC ADMET benchmark group split)	Not reported	Not reported	1.023 ± 0.023	Not reported
CNNEvaluation	TDC ADMET benchmark group TDC-CACO2: Absorption: TDC.Caco2, TDC.Caco2 (TDC ADMET benchmark group split)	Not reported	Not reported	0.446 ± 0.036 (best in column)	Not reported
CNNEvaluation	TDC ADMET benchmark group TDC-CL-HEPA: Excretion: TDC.CL-Hepa, TDC.CL-Hepa (TDC ADMET benchmark group split)	Not reported	Not reported	Not reported	0.235 ± 0.021
CNNEvaluation	TDC ADMET benchmark group TDC-CL-MICRO: Excretion: TDC.CL-Micro, TDC.CL-Micro (TDC ADMET benchmark group split)	Not reported	Not reported	Not reported	0.252 ± 0.116 (best in column)
CNNEvaluation	TDC ADMET benchmark group TDC-CYP2C9-INHIBITION: Metabolism: TDC.CYP2C9 Inhibition, TDC.CYP2C9 Inhibition (TDC ADMET benchmark group split)	Not reported	0.713 ± 0.006	Not reported	Not reported
CNNEvaluation	TDC ADMET benchmark group TDC-CYP2C9-SUBSTRATE: Metabolism: TDC.CYP2C9 Substrate, TDC.CYP2C9 Substrate (TDC ADMET benchmark group split)	Not reported	0.367 ± 0.059	Not reported	Not reported
CNNEvaluation	TDC ADMET benchmark group TDC-CYP2D6-INHIBITION: Metabolism: TDC.CYP2D6 Inhibition, TDC.CYP2D6 Inhibition (TDC ADMET benchmark group split)	Not reported	0.544 ± 0.053	Not reported	Not reported
CNNEvaluation	TDC ADMET benchmark group TDC-CYP2D6-SUBSTRATE: Metabolism: TDC.CYP2D6 Substrate, TDC.CYP2D6 Substrate (TDC ADMET benchmark group split)	Not reported	0.485 ± 0.037	Not reported	Not reported
CNNEvaluation	TDC ADMET benchmark group TDC-CYP3A4-INHIBITION: Metabolism: TDC.CYP3A4 Inhibition, TDC.CYP3A4 Inhibition (TDC ADMET benchmark group split)	Not reported	0.821 ± 0.003 (best in column)	Not reported	Not reported
CNNEvaluation	TDC ADMET benchmark group TDC-HALF-LIFE: Excretion: TDC.Half Life, TDC.Half Life (TDC ADMET benchmark group split)	Not reported	Not reported	Not reported	0.038 ± 0.138
CNNEvaluation	TDC ADMET benchmark group TDC-LD50: Toxicity: TDC.LD50, TDC.LD50 (TDC ADMET benchmark group split)	Not reported	Not reported	0.675 ± 0.011	Not reported
CNNEvaluation	TDC ADMET benchmark group TDC-LIPO: Absorption: TDC.Lipo, TDC.Lipo (TDC ADMET benchmark group split)	Not reported	Not reported	0.743 ± 0.020	Not reported
CNNEvaluation	TDC ADMET benchmark group TDC-PPBR: Distribution: TDC.PPBR, TDC.PPBR (TDC ADMET benchmark group split)	Not reported	Not reported	11.106 ± 0.358	Not reported
CNNEvaluation	TDC ADMET benchmark group TDC-VD: Distribution: TDC.VDss, TDC.VDss (TDC ADMET benchmark group split)	Not reported	Not reported	Not reported	0.226 ± 0.114

All 22 result rows with coverage, uncertainty and sources

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Exact evaluated configurations and original reported results
Tested configuration	Protocol and dataset	Finding	Evidence and details
Method: CNN	Task: TDC ADMET benchmark group TDC-AMES: Toxicity: TDC.AMES Dataset subset: TDC.AMES (TDC ADMET benchmark group split)	0.776 ± 0.015 AUROC unitless · higher Uncertainty: ± 0.015 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN on TDC ADMET benchmark group TDC-AMES: Toxicity: TDC.AMES 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(CNN), column(TDC.AMES)
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 unit-unreported · lower Uncertainty: ± 0.023 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN 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: CNN	Task: TDC ADMET benchmark group TDC-BBB: Distribution: TDC.BBB Dataset subset: TDC.BBB (TDC ADMET benchmark group split)	0.781 ± 0.030 AUROC unitless · higher Uncertainty: ± 0.030 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN on TDC ADMET benchmark group TDC-BBB: Distribution: TDC.BBB 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(Distribution), row(CNN), column(TDC.BBB)
Method: CNN	Task: TDC ADMET benchmark group TDC-BIOAV: Absorption: TDC.Bioav Dataset subset: TDC.Bioav (TDC ADMET benchmark group split)	0.613 ± 0.013 AUROC unitless · higher Uncertainty: ± 0.013 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN on TDC ADMET benchmark group TDC-BIOAV: Absorption: TDC.Bioav 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.Bioav)
Method: CNN	Task: TDC ADMET benchmark group TDC-CACO2: Absorption: TDC.Caco2 Dataset subset: TDC.Caco2 (TDC ADMET benchmark group split)	0.446 ± 0.036 MAE unit-unreported · lower Uncertainty: ± 0.036 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN on TDC ADMET benchmark group TDC-CACO2: Absorption: TDC.Caco2 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.Caco2)
Method: CNN	Task: TDC ADMET benchmark group TDC-CL-HEPA: Excretion: TDC.CL-Hepa Dataset subset: TDC.CL-Hepa (TDC ADMET benchmark group split)	0.235 ± 0.021 Spearman unitless · higher Uncertainty: ± 0.021 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN on TDC ADMET benchmark group TDC-CL-HEPA: Excretion: TDC.CL-Hepa 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(Excretion), row(CNN), column(TDC.CL-Hepa)
Method: CNN	Task: TDC ADMET benchmark group TDC-CL-MICRO: Excretion: TDC.CL-Micro Dataset subset: TDC.CL-Micro (TDC ADMET benchmark group split)	0.252 ± 0.116 Spearman unitless · higher Uncertainty: ± 0.116 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN on TDC ADMET benchmark group TDC-CL-MICRO: Excretion: TDC.CL-Micro 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(Excretion), row(CNN), column(TDC.CL-Micro)
Method: CNN	Task: TDC ADMET benchmark group TDC-CYP2C9-INHIBITION: Metabolism: TDC.CYP2C9 Inhibition Dataset subset: TDC.CYP2C9 Inhibition (TDC ADMET benchmark group split)	0.713 ± 0.006 AUPRC fraction · higher Uncertainty: ± 0.006 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN on TDC ADMET benchmark group TDC-CYP2C9-INHIBITION: Metabolism: TDC.CYP2C9 Inhibition 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(Metabolism), row(CNN), column(TDC.CYP2C9 Inhibition)
Method: CNN	Task: TDC ADMET benchmark group TDC-CYP2C9-SUBSTRATE: Metabolism: TDC.CYP2C9 Substrate Dataset subset: TDC.CYP2C9 Substrate (TDC ADMET benchmark group split)	0.367 ± 0.059 AUPRC fraction · higher Uncertainty: ± 0.059 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN on TDC ADMET benchmark group TDC-CYP2C9-SUBSTRATE: Metabolism: TDC.CYP2C9 Substrate 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(Metabolism), row(CNN), column(TDC.CYP2C9 Substrate)
Method: CNN	Task: TDC ADMET benchmark group TDC-CYP2D6-INHIBITION: Metabolism: TDC.CYP2D6 Inhibition Dataset subset: TDC.CYP2D6 Inhibition (TDC ADMET benchmark group split)	0.544 ± 0.053 AUPRC fraction · higher Uncertainty: ± 0.053 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN on TDC ADMET benchmark group TDC-CYP2D6-INHIBITION: Metabolism: TDC.CYP2D6 Inhibition 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(Metabolism), row(CNN), column(TDC.CYP2D6 Inhibition)
Method: CNN	Task: TDC ADMET benchmark group TDC-CYP2D6-SUBSTRATE: Metabolism: TDC.CYP2D6 Substrate Dataset subset: TDC.CYP2D6 Substrate (TDC ADMET benchmark group split)	0.485 ± 0.037 AUPRC fraction · higher Uncertainty: ± 0.037 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN on TDC ADMET benchmark group TDC-CYP2D6-SUBSTRATE: Metabolism: TDC.CYP2D6 Substrate 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(Metabolism), row(CNN), column(TDC.CYP2D6 Substrate)
Method: CNN	Task: TDC ADMET benchmark group TDC-CYP3A4-INHIBITION: Metabolism: TDC.CYP3A4 Inhibition Dataset subset: TDC.CYP3A4 Inhibition (TDC ADMET benchmark group split)	0.821 ± 0.003 AUPRC fraction · higher Uncertainty: ± 0.003 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN on TDC ADMET benchmark group TDC-CYP3A4-INHIBITION: Metabolism: TDC.CYP3A4 Inhibition 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(Metabolism), row(CNN), column(TDC.CYP3A4 Inhibition)
Method: CNN	Task: TDC ADMET benchmark group TDC-CYP3A4-SUBSTRATE: Metabolism: TDC.CYP3A4 Substrate Dataset subset: TDC.CYP3A4 Substrate (TDC ADMET benchmark group split)	0.662 ± 0.031 AUROC unitless · higher Uncertainty: ± 0.031 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN on TDC ADMET benchmark group TDC-CYP3A4-SUBSTRATE: Metabolism: TDC.CYP3A4 Substrate 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(Metabolism), row(CNN), column(TDC.CYP3A4 Substrate)
Method: CNN	Task: TDC ADMET benchmark group TDC-DILI: Toxicity: TDC.DILI Dataset subset: TDC.DILI (TDC ADMET benchmark group split)	0.792 ± 0.016 AUROC unitless · higher Uncertainty: ± 0.016 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN 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(CNN), column(TDC.DILI)
Method: CNN	Task: TDC ADMET benchmark group TDC-HALF-LIFE: Excretion: TDC.Half Life Dataset subset: TDC.Half Life (TDC ADMET benchmark group split)	0.038 ± 0.138 Spearman unitless · higher Uncertainty: ± 0.138 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN on TDC ADMET benchmark group TDC-HALF-LIFE: Excretion: TDC.Half Life 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(Excretion), row(CNN), column(TDC.Half_Life)
Method: CNN	Task: TDC ADMET benchmark group TDC-HERG: Toxicity: TDC.hERG Dataset subset: TDC.hERG (TDC ADMET benchmark group split)	0.754 ± 0.037 AUROC unitless · higher Uncertainty: ± 0.037 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN on TDC ADMET benchmark group TDC-HERG: Toxicity: TDC.hERG 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(CNN), column(TDC.hERG)
Method: CNN	Task: TDC ADMET benchmark group TDC-HIA: Absorption: TDC.HIA Dataset subset: TDC.HIA (TDC ADMET benchmark group split)	0.869 ± 0.026 AUROC unitless · higher Uncertainty: ± 0.026 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN 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(CNN), column(TDC.HIA)
Method: CNN	Task: TDC ADMET benchmark group TDC-LD50: Toxicity: TDC.LD50 Dataset subset: TDC.LD50 (TDC ADMET benchmark group split)	0.675 ± 0.011 MAE unit-unreported · lower Uncertainty: ± 0.011 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN on TDC ADMET benchmark group TDC-LD50: Toxicity: TDC.LD50 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(CNN), column(TDC.LD50)
Method: CNN	Task: TDC ADMET benchmark group TDC-LIPO: Absorption: TDC.Lipo Dataset subset: TDC.Lipo (TDC ADMET benchmark group split)	0.743 ± 0.020 MAE unit-unreported · lower Uncertainty: ± 0.020 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN on TDC ADMET benchmark group TDC-LIPO: Absorption: TDC.Lipo 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.Lipo)
Method: CNN	Task: TDC ADMET benchmark group TDC-PGP: Absorption: TDC.Pgp Dataset subset: TDC.Pgp (TDC ADMET benchmark group split)	0.908 ± 0.012 AUROC unitless · higher Uncertainty: ± 0.012 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN on TDC ADMET benchmark group TDC-PGP: Absorption: TDC.Pgp 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.Pgp)
Method: CNN	Task: TDC ADMET benchmark group TDC-PPBR: Distribution: TDC.PPBR Dataset subset: TDC.PPBR (TDC ADMET benchmark group split)	11.106 ± 0.358 MAE unit-unreported · lower Uncertainty: ± 0.358 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN on TDC ADMET benchmark group TDC-PPBR: Distribution: TDC.PPBR 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(Distribution), row(CNN), column(TDC.PPBR)
Method: CNN	Task: TDC ADMET benchmark group TDC-VD: Distribution: TDC.VDss Dataset subset: TDC.VDss (TDC ADMET benchmark group split)	0.226 ± 0.114 Spearman unitless · higher Uncertainty: ± 0.114 (type not stated) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source CNN on TDC ADMET benchmark group TDC-VD: Distribution: TDC.VDss 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(Distribution), row(CNN), column(TDC.VD)

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Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development · Original source · arXiv 2102.09548v1; later NSF v2 discovery retrieved partially but full artifact unavailable

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Stable ID: tdc-method-cnn

areas: molecular-interactions
source locator: Table 4, row(CNN)
missing metadata: checkpoint revision: reason: unreported; parameters: reason: unextracted
provenance note: Baseline implemented by the Therapeutics Data Commons authors.

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