MetMaxStruct: a Tversky-similarity-based strategy for analysing the (sub)structural similarities of drugs and endogenous metabolites

Background. Previous studies compared the molecular similarity of marketed drugs and endogenous human metabolites (endogenites), using a series of fingerprint-type encodings, variously ranked and clustered using the Tanimoto (Jaccard) similarity coefficient (TS). Because this gives equal weight to a...

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Bibliographic Details
Main Authors: Steve O'Hagan (Author), Douglas Bruce Kell (Author)
Format: Book
Published: Frontiers Media S.A., 2016-08-01T00:00:00Z.
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3rd Floor Main Library

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Call Number: A1234.567
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