ClinTox
The ClinTox dataset compares drugs approved by the FDA and drugs that have failed clinical trials for toxicity reasons. The dataset includes two classification tasks for 1491 drug compounds with known chemical structures: (1) clinical trial toxicity (or absence of toxicity) and (2) FDA approval status.
Benchmarks
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ClinTox
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MolXPT
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ClinTox
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TrimNet
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ClinTox
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Papers
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