Pragmatic Approaches to Using Computational Methods To Predict Xenobiotic Metabolism
In this study the performance of a selection of computational models for the prediction of metabolites and/or sites of metabolism was investigated. These included models incorporated in the MetaPrint2D-React, Meteor, and SMARTCyp software. The algorithms were assessed using two data sets: one a homo...
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Veröffentlicht in: | Journal of chemical information and modeling 2013-06, Vol.53 (6), p.1282-1293 |
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Hauptverfasser: | , , , |
Format: | Artikel |
Sprache: | eng |
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