Efficient calculation of compound similarity based on maximum common subgraphs and its application to prediction of gene transcript levels

Properties of a chemical entity, both physical and biological, are related to its structure. Since compound similarity can be used to infer properties of novel compounds, in chemoinformatics much attention has been paid to ways of calculating structural similarity. A useful metric to capture the str...

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Bibliographic Details

Published in:	International journal of bioinformatics research and applications Vol. 9; no. 4; p. 407
Main Authors:	Berlo, Rogier J P Van, Winterbach, Wynand, Groot, Marco J L De, Bender, Andreas, Verheijen, Peter J T, Reinders, Marcel J T, Ridder, Dick De
Format:	Journal Article
Language:	English
Published:	Switzerland 2013
Subjects:	Algorithms Databases, Factual Drug Design Models, Molecular Pharmaceutical Preparations - chemistry Transcription, Genetic
ISSN:	1744-5485
Online Access:	Get more information
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