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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Vydané v:	International journal of bioinformatics research and applications Ročník 9; číslo 4; s. 407
Hlavní autori:	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
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	Switzerland 2013
Predmet:	Algorithms Databases, Factual Drug Design Models, Molecular Pharmaceutical Preparations - chemistry Transcription, Genetic
ISSN:	1744-5485
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