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Ligand-Based Site of Metabolism Prediction for Cytochrome P450 2D6
[Image: see text] A ligand-based method based on the SMARTCyp approach that predicts the sites of cytochrome P450 2D6-mediated metabolism of druglike molecules has been developed. The method uses only two descriptors besides the reactivity from SMARTCyp: the distance to a protonated nitrogen atom an...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
American
Chemical Society
2011
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| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4025842/ https://ncbi.nlm.nih.gov/pubmed/24900373 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ml200246f |
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