Efficient Multi-Objective Molecular Optimization in a Continuous Latent SpaceRobin Winter,Floriane Montanari,Andreas Steffen,Hans Briem,Frank Noe,Djork-Arne ClevertChemical Science（2019）SCI 1区SCI 2区Bayer AG被引用221|浏览27摘要We utilize Particle Swarm Optimization to optimize molecules in a machine-learned continuous chemical representation with respect to multiple objectives such as biological activity, structural constrains or ADMET properties.更多查看译文关键词Optimization,Computational Chemistry,Molecular Docking,Materials Discovery,Drug Target IdentificationPDF原文链接分享引用加入学术空间AI Read Science数据免责声明页面数据均来自互联网公开来源、合作出版商和通过AI技术自动分析结果，我们不对页面数据的有效性、准确性、正确性、可靠性、完整性和及时性做出任何承诺和保证。若有疑问，可以通过电子邮件方式联系我们：report@aminer.cnAI 解读一键生成论文网页Chat Paper正在生成论文摘要
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