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Evolutionary algorithms have been widely adopted for solving many of the complex tasks involved in drug design. Here, applications to two different tasks are reviewed: combinatorial library design and deriving quantitative structure-activity relationship (QSAR) models. Combinatorial libraries are the result of combinatorial synthesis whereby robotics is used to synthesise large numbers of compounds...
Evolutionary algorithms have been widely adopted for solving many of the complex tasks involved in drug design. Here, applications to two different tasks are reviewed: combinatorial library design and deriving quantitative structure-activity relationship (QSAR) models. Combinatorial libraries are the result of combinatorial synthesis whereby robotics is used to synthesise large numbers of compounds...
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