Transforming Computational Drug Discovery with Machine Learning and AI [electronic resource]

• Ngôn ngữ: eng
• Ký hiệu phân loại: 541.3 Miscellaneous topics in physical chemistry
• Thông tin xuất bản: Los Alamos, N.M. : Oak Ridge, Tenn. : Los Alamos National Laboratory ; Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy, 2018
• Mô tả vật lý: Size: 1065-1069 : , digital, PDF file.
• Bộ sưu tập: Metadata
• ID: 260171
• Chủ đề: 1. 37 inorganic, organic, physical, and analytical chemistry; 2. 60 applied life sciences; 3. 97 mathematics and computing; 4. Medicinal chemistry, drug discovery, machine learning, chemistry

Tóm tắt

We discuss the current progress in applications of machine learning (ML) and artificial intelligence (AI) to meet the challenges of computational drug discovery. We identify several areas where existing methods have the potential to accelerate pharmaceutical research and disrupt more traditional approaches.