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Updated: May 17, 2025

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids
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在算法逆合成中产生多样性和确保完整性.

Florian Mrugalla1, Christopher Franz2, Yannic Alber3

  • 1Bayer AG, Leverkusen, Germany. florian.mrugalla@bayer.com.

Journal of cheminformatics
|May 13, 2025
PubMed
概括

这项研究引入了一种用于化学合成规划的新算法,通过优先考虑各种分子途径来增强逆合成. 新方法在生成多样化和高效的合成计划方面优于现有方法.

关键词:
化学多样性得分 化学多样性得分计算机辅助合成规划 (CASP) 技术这就是为什么DFPN是DFPN.复杂合成的复杂合成

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