Journal
EXPERT OPINION ON DRUG DISCOVERY
Volume 2, Issue 4, Pages 423-430Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1517/17460441.2.4.423
Keywords
lead-hopping; similarity; virtual screening
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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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