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Therapeutic Data Commons dataset and benchmarks · SOTA2 Research

Research Datasets

Therapeutic Data Commons

Benchmarks

Task NameDataset NameSOTA MethodSort

Task NameDataset NameSOTA ResultTrendResults

Molecular Optimization

Therapeutic Data Commons (TDC) top-10 performance

0.486Amlodipine MPO Score

7

Molecular Property Classification

Therapeutic Data Commons (TDC) Held-out

0.576ClinTox

4

Popular tasks

Molecular Property Classification Molecular Optimization

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