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Therapeutics

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TDC

AI Benchmark Drug Discovery Therapeutics Datasets Harvard
PUBMED_LINK
35970914
FULL NAME
Therapeutics Data Commons — AI Foundation for Therapeutic Science
DESCRIPTION
Therapeutics Data Commons (TDC) is a coordinated initiative providing AI-ready datasets and curated benchmarks across the full spectrum of therapeutic modalities (small molecules, biologics, gene therapy) and stages (target identification, hit discovery, lead optimization, manufacturing). Features 100+ datasets across 50+ learning tasks, with standardized evaluation protocols, data splits, and public leaderboards. Supports systematic evaluation of AI methods for drug discovery and development.
URL
https://tdcommons.ai
TITLE
Artificial intelligence foundation for therapeutic science.
Main citation
Huang K, Fu T, Gao W, Zhao Y, Roohani Y, Leskovec J, Coley CW, Xiao C, Sun J, Zitnik M. (2022) Artificial intelligence foundation for therapeutic science. Nature Chemical Biology, 18(10):1034-1036. doi:10.1038/s41589-022-01131-2. PMID 35970914
ABSTRACT
Artificial intelligence is poised to enable breakthroughs and discoveries in therapeutic science. Therapeutics Data Commons is a coordinated initiative to access and evaluate AI capability across therapeutic modalities and stages of discovery. The Commons is a resource with AI-solvable tasks, AI-ready datasets, and curated benchmarks, providing an ecosystem of tools, libraries, leaderboards, and community resources.
DOI
10.1038/s41589-022-01131-2