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Updated: Jul 17, 2025

Spatial Separation of Molecular Conformers and Clusters
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空间评分――小分子复杂性的综合拓指标

Adrian Krzyzanowski1,2, Axel Pahl3, Michael Grigalunas1

  • 1Department of Chemical Biology, Max Planck Institute of Molecular Physiology, Otto-Hahn-Straße 11, 44227 Dortmund, Germany.

Journal of medicinal chemistry
|August 31, 2023
PubMed
概括

我们介绍了空间分数 (SPS),这是一个新的分子复杂度度量,比现有的措施更好地捕捉空间拓. 尺寸规范化的SPS (nSPS) 与生物活动相关,有助于合成规划.

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