期刊
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
卷 41, 期 -, 页码 -出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmcl.2021.128003
关键词
Drug design; Multiparameter optimization; Small molecule; Drug discovery
Modern small molecule drug discovery requires holistic drug design for multiparameter optimization, strategically using multiple drug design approaches based on the goal and stage of the drug discovery program, the quantity and quality of data for analyses, and the availability and accuracy of predictive models to increase the efficiency and success rate of small molecule drug discovery.
Small molecule drug discovery in the modern era necessitates rapid and simultaneous multiparameter optimization. Holistic drug design entails the strategic use of multiple drug design approaches for multiparameter optimization based on the goal and stage of the drug discovery program, the quantity and quality of data for analyses, and the availability and accuracy of predictive models. By leveraging orthogonal, complementary, or synergistic drug design approaches, holistic drug design may improve the efficiency of multiparameter optimization and increase the chance for success in small molecule drug discovery.
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