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Updated: May 24, 2025

A New Straightforward Method for Lipophilicity logP Measurement using 19F NMR Spectroscopy
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在SAMPL9日志P挑战中,拓-水分区系数的扩展组合预测

Steven R Goold1, Robert M Raddi1, Vincent A Voelz1

  • 1Department of Chemistry, Temple University, Philadelphia, PA, USA. voelz@temple.edu.

Physical chemistry chemical physics : PCCP
|March 5, 2025
PubMed
概括

这项研究使用了分子模拟来准确预测水和之间的分割系数 (log P) 对药物样分子的对数. 扩展组合方法取得了良好的准确性,这表明它对于预测不同溶剂中疏水性的有用性.

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