Evolutionary algorithms for de novo drug design - A survey
作者： R Vasundhara Devi , S Siva Sathya , Mohane Selvaraj Coumar , None
DOI: 10.1016/J.ASOC.2014.09.042
关键词: Drug 、 Molecule 、 Drug development 、 Multi-objective optimization 、 Drug discovery 、 Artificial intelligence 、 Computer science 、 Genetic algorithm 、 Computer Aided Design 、 Soft computing 、 Evolutionary algorithm 、 Machine learning
摘要: In de novo drug design multiple pharmaceutically important parameters need to be optimized. Various tools using evolutionary algorithm, a soft computing technique for multi-objective optimization find novel molecules development are surveyed. De supplies development.In optimized.Evolutionary algorithms used optimization.Evolutionary in analyzed here. The process of and discovery demands several man years huge investment. Computer-aided (CADD) is an aid speed up the process. design, CADD identify drug-like chemical structures from search space, helps new drugs by relevant required successful drug. As space very large case algorithm (EA), can optimal solution, which this paper, various EA techniques surveyed detail, with particular emphasis on computational aspects.
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