Most Ligand-Based Classification Benchmarks Reward Memorization Rather than Generalization
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- Izhar Wallach
- Atomwise Inc., 221 Main Street, Suite 1350, San Francisco, California 94105, United States
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- Abraham Heifets
- Atomwise Inc., 221 Main Street, Suite 1350, San Francisco, California 94105, United States
収録刊行物
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- Journal of Chemical Information and Modeling
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Journal of Chemical Information and Modeling 58 (5), 916-932, 2018-04-26
American Chemical Society (ACS)