亲脂性
肽
化学
计算机科学
人工智能
计算生物学
组合化学
生物化学
生物
作者
Jens A. Fuchs,Francesca Grisoni,Michael Kossenjans,Jan A. Hiss,Gisbert Schneider
出处
期刊:MedChemComm
[The Royal Society of Chemistry]
日期:2018-01-01
卷期号:9 (9): 1538-1546
被引量:25
摘要
Lipophilicity prediction is routinely applied to small molecules. For compounds outside the domain of classical medicinal chemistry these predictions lack accuracy, advocating the development of bespokein silicoapproaches.
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