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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...
| Autores principales: | , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
Oxford University Press
2008
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2718661/ https://www.ncbi.nlm.nih.gov/pubmed/18586736 http://dx.doi.org/10.1093/bioinformatics/btn186 |