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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...
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| Publicado no: | J Cheminform |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer International Publishing
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5344883/ https://ncbi.nlm.nih.gov/pubmed/28316656 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-017-0198-y |
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