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Structure and chemistry of cytochrome P450
IG Denisov et al.
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Rapid prediction of chemical metabolism by human UDP-glucuronosyltransferase isoforms using quantum chemical descriptors derived with the electronegativity equalization method
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Modeling of human cytochrome P450-mediated drug metabolism using unsupervised machine learning approach
D Korolev et al.
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A model for predicting likely sites of CYP3A4-mediated metabolism on drug-like molecules
SB Singh et al.
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Computer systems for the prediction of xenobiotic metabolism
J Langowski et al.
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Screening with tumor markers - Critical issues
JE Roulston
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Structure-activity relationship for human cytochrome P450 substrates and inhibitors
DFV Lewis et al.
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Assessing the accuracy of prediction algorithms for classification: an overview
P Baldi et al.
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