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从GDB化学空间对分子复杂性的看法

Ye Buehler1, Jean-Louis Reymond1

  • 1Department of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, 3012 Bern, Switzerland.

Journal of chemical information and modeling
|May 15, 2025
PubMed
概括

通过非二元节点 (MC1,MC2) 测量的分子复杂性与合成难度相关. 这些指标适用于各种化学数据库,帮助分子选择用于研究.

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