Chong Zhang1, Cai Dai1, Xiujuan Lei1

  • 1School of Computer Science, Shaanxi Normal University, Xi'an 710119, China.

概括

一种新的方法,即蒙特卡罗树搜索 (MCTS) 的分子多目标优化和非优越性排名遗传算法II (NSGA-II) -MNopt,优化了分子设计. 它有效地产生有效和可行的分子用于药物发现,而无需大量的数据.

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