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Line-Walking Method for Predicting Inhibition of P450 Drug Metabolism
A new method, called line-walking recursive partitioning (LWRP), for partitioning diverse structures based on chemical properties that uses only nine descriptors of the shape, polarizability, and charge of the molecule is described. We use a training set of over 600 compounds, and a validation set o...
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| Hlavní autoři: | , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
2006
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2871544/ https://ncbi.nlm.nih.gov/pubmed/16821796 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jm0601553 |
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