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Selecting machine-learning scoring functions for structure-based virtual screening
Institution:1. Centre de Recherche en Cancérologie de Marseille (CRCM), Inserm, U1068, Marseille F-13009, France;2. CNRS, UMR7258, Marseille F-13009, France;3. Institut Paoli-Calmettes, Marseille F-13009, France;4. Aix-Marseille University, UM 105, F-13009 Marseille, France;1. ZJU-ENS Joint Laboratory of Medicinal Chemistry, Zhejiang Province Key Laboratory of Anti-Cancer Drug Research, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China;2. State Key Laboratory of Natural and Biomimetic Drugs, Peking University, Beijing 100083, China;3. Department of Pharmacology, School of Medicine, Zhejiang University, Hangzhou 310058, China;1. Department of Computer Science, Wrocław University of Science and Technology, Poland;2. Indata SA, Wrocław, Poland;3. Alphamoon, Wrocław, Poland;1. Cyber-Physical Systems Lab, Egypt-Japan University of Science and Technology (E-JUST), P.O. Box 179, New Borg El-Arab City, 21934 Alexandria, Egypt;2. Faculty of Engineering, Alexandria University, Alexandria 21544, Egypt
Abstract:
Keywords:Virtual screening  Machine learning  Artificial intelligence  Drug design  Docking
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