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QSPRmodeler - 一个用于分子预测分析的开源应用程序

Rafał A Bachorz1, Damian Nowak1,2, Marcin Ratajewski1

  • 1Institute of Medical Biology, Polish Academy of Sciences, Łódź, Poland.

Frontiers in bioinformatics
|October 11, 2024
PubMed
概括

本研究介绍了Python软件用于in silico药物设计,利用机器学习来预测分子特性. 该工具简化了数据处理和模型培训,以更快地评估候选药物.

关键词:
接收人 接收人这就是QSPR.生物活动是生物活动.药物设计 药物设计机器学习是机器学习.

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