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Benchmarking Datasets & Metrics (MoleculeNet/TDC) | Robust Splits, Metrics & Reproducibility

Benchmark QSAR/ADMET models with MoleculeNet & TDC: clean splits (random/scaffold/time), leakage checks, robust metrics (ROC-AUC, PR-AUC, RMSE), calibration, uncertainty, and reproducible leaderboards.

NTHRYS >> Services >> Academic Services >> Training Programs >> Bioinformatics Training >> Cheminformatics, QSAR & ADMET

Benchmarking Datasets & Metrics — Hands-on

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