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A ‘rule of 0.5’ for the metabolite-likeness of approved pharmaceutical drugs
We exploit the recent availability of a community reconstruction of the human metabolic network (‘Recon2’) to study how close in structural terms are marketed drugs to the nearest known metabolite(s) that Recon2 contains. While other encodings using different kinds of chemical fingerprints give grea...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer US
2014
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4342520/ https://www.ncbi.nlm.nih.gov/pubmed/25750602 http://dx.doi.org/10.1007/s11306-014-0733-z |