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Analysis of drug–endogenous human metabolite similarities in terms of their maximum common substructures
In previous work, we have assessed the structural similarities between marketed drugs (‘drugs’) and endogenous natural human metabolites (‘metabolites’ or ‘endogenites’), using ‘fingerprint’ methods in common use, and the Tanimoto and Tversky similarity metrics, finding that the fingerprint encoding...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5344883/ https://www.ncbi.nlm.nih.gov/pubmed/28316656 http://dx.doi.org/10.1186/s13321-017-0198-y |