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Updated: Jul 16, 2025

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多步骤的回归合成结合了连接断开的三重变压器循环与路线处罚得分的引导树搜索

David Kreutter1, Jean-Louis Reymond1

  • 1Department of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern Freiestrasse 3 3012 Bern Switzerland david.kreutter@unibe.ch jean-louis.reymond@unibe.ch.

Chemical science
|September 22, 2023
PubMed
概括

本研究介绍了一个开源的计算机辅助合成计划 (CASP) 工具. 它使用了一种新的三重变压器循环和树搜索算法,为复杂分子提出高效,短的合成路线.

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