isoCYP
This demo web service computes the predominant cytochrome P450 isoform for a given compound.
For more details please check the following publication:
Terfloth, L.; Bienfait, B.; Gasteiger, J. Ligand-Based Models for the Isoform Specificity of Cytochrome P450
3A4, 2D6 and 2C9 substrates. J. Chem. Inf. Model. 2007, 47, 1688-1701.
(DOI 10.1021/ci700010t)
Currently, model 2 (decision tree) from the paper is provided by this service.
Checking system requirements...