Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development

Kexin Huang, Tianfan Fu, Wenhao Gao, Yue Zhao 0016, Yusuf Roohani, Jure Leskovec, Connor W. Coley, Cao Xiao, Jimeng Sun, Marinka Zitnik. Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development. In Joaquin Vanschoren, Sai Kit Yeung, editors, Proceedings of the Neural Information Processing Systems Track on Datasets and Benchmarks 1, NeurIPS Datasets and Benchmarks 2021, December 2021, virtual. 2021. [doi]

Abstract

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