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A maximum common substructure-based algorithm for searching and predicting drug-like compounds

Motivation: The prediction of biologically active compounds is of great importance for high-throughput screening (HTS) approaches in drug discovery and chemical genomics. Many computational methods in this area focus on measuring the structural similarities between chemical structures. However, trad...

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Bibliographic Details
Main Authors: Cao, Yiqun, Jiang, Tao, Girke, Thomas
Format: Artigo
Language:Inglês
Published: Oxford University Press 2008
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC2718661/
https://ncbi.nlm.nih.gov/pubmed/18586736
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/bioinformatics/btn186
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