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Multi-objective optimization methods in drug design
Affiliation:1. Lilly Research Laboratories, Drop Code 1930, Eli Lilly & Company, Indianapolis, IN 46285, USA;2. Cancer Research UK Cancer Therapeutics Unit, Division of Cancer Therapeutics, The Institute of Cancer Research, 15 Cotswold Road, Sutton, London SM2 5NG, UK;1. Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai, 201203, China;2. University of Chinese Academy of Sciences, No.19A Yuquan Road, Beijing, 100049, China;3. CAS Key Laboratory for Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai, 201203, China;4. Shanghai Institute for Advanced Immunochemical Studies, And School of Life Science and Technology, ShanghaiTech University, 393 Huaxiazhong Road, Shanghai, 200031, China;5. School of Information Management, Dezhou University, 566 West University Road, Dezhou, 253023, China;1. Optibrium Ltd, 7221 Cambridge Research Park, Beach Drive, Cambridge CB25 9TL, UK;2. Compound Safety Prediction, Pfizer Global Research & Development, Groton, CT, USA;3. Massachusetts Institute of Technology, Cambridge, MA, USA;1. Gujarat Technological University, Gujarat, India;2. Pandit Deendayal Petroleum University, Raysan, Gandhinagar 382007, Gujarat, India
Abstract:Drugs must satisfy multiple objectives to be approved by licensing authorities. Each of these objectives must be optimized during a drug discovery program. Multi-objective optimization methods enable searching for solutions meeting numerous objectives simultaneously.
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