If you use this service or download the program and publish the results, please cite the appropriate ones of the following papers:
The basic SMARTCyp method, version 1.0:
Patrik Rydberg, David E. Gloriam, Jed Zaretzki, Curt Breneman and Lars Olsen. SMARTCyp: A 2D Method for Prediction of Cytochrome P450-Mediated Drug Metabolism, ACS Medicinal Chemistry Letters, 2010, 1, 96-100
The web server, and version 1.5:
P. Rydberg, D.E. Gloriam, L. Olsen. The SMARTCyp cytochrome P450 metabolism prediction server, Bioinformatics, 2010, 26, 2988-2989
The 2D6 model, use of 1D pharmacophores, version 2.0
P. Rydberg and L. Olsen. Ligand-based Site of Metabolism Prediction for Cytochrome P450 2D6, ACS Medicinal Chemistry Letters, 2012, 3, 69-73
The 2C9 model, version 2.1
P. Rydberg and L. Olsen. Predicting Drug Metabolism by Cytochrome P450 2C9 - Comparison to the 2D6 and 3A4 Isoforms ChemMedChem, 2012, 7, 1202-1209
N-oxidation corrections, version 2.3
P. Rydberg et al. Nitrogen inversion barriers affect the N-oxidation of tertiary alkylamines by cytochromes P450 , Angew. Chem, Int. Ed. 2013, 52, 993-997
Solvent accessible surface area contribution, 2DSASA, version 2.4
P. Rydberg et al. The Contribution of Atom Accessibility to Site of Metabolism Models for Cytochromes P450 , Mol Pharmaceutics 2013, 10, 1216-1223