Masatsugu Yamada1,2,3, Mahito Sugiyama1,2

  • 1School of Multidisciplinary Sciences, Department of Informatics, The Graduate University for Advanced Studies, SOKENDAI, Kanagawa 240-0115, Japan.

ACS omega
|June 12, 2023
PubMed
概括

这项研究引入了一种新的分子设计方法,使用频繁的子图挖掘和强化学习来构建更好的分子. 这种可解释的方法产生了具有改进性质的新药候选者.

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