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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Veröffentlicht in:	International journal of bioinformatics research and applications Jg. 9; H. 4; S. 407
Hauptverfasser:	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
Sprache:	Englisch
Veröffentlicht:	Switzerland 2013
Schlagworte:	Algorithms Databases, Factual Drug Design Models, Molecular Pharmaceutical Preparations - chemistry Transcription, Genetic
ISSN:	1744-5485
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