期刊
EXPERT OPINION ON DRUG DISCOVERY
卷 2, 期 4, 页码 423-430出版社
TAYLOR & FRANCIS LTD
DOI: 10.1517/17460441.2.4.423
关键词
lead-hopping; similarity; virtual screening
Chemical similarity is a very popular method for virtual screening. Similarity methods have been under development for decades and there is a tendency for the newer methods to be more complex (and more computationally expensive). One stated justification for adding complexity is that the methods are better able to 'lead-hop'. However, is this really true? I argue that only some types of complexity are useful in this regard.
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