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Trainable structure-activity relationship model for virtual screening of CYP3A4 inhibition.
Didziapetris R, Dapkunas J, Sazonovas A, Japertas P. Didziapetris R, et al. Among authors: sazonovas a. J Comput Aided Mol Des. 2010 Nov;24(11):891-906. doi: 10.1007/s10822-010-9381-1. Epub 2010 Sep 1. J Comput Aided Mol Des. 2010. PMID: 20814717
Estimation of reliability of predictions and model applicability domain evaluation in the analysis of acute toxicity (LD50).
Sazonovas A, Japertas P, Didziapetris R. Sazonovas A, et al. SAR QSAR Environ Res. 2010 Jan 1;21(1):127-48. doi: 10.1080/10629360903568671. SAR QSAR Environ Res. 2010. PMID: 20373217
Probabilistic prediction of the human CYP3A4 and CYP2D6 metabolism sites.
Dapkunas J, Sazonovas A, Japertas P. Dapkunas J, et al. Among authors: sazonovas a. Chem Biodivers. 2009 Nov;6(11):2101-6. doi: 10.1002/cbdv.200900078. Chem Biodivers. 2009. PMID: 19937844 Review.