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. Author manuscript; available in PMC: 2013 Jun 25.
Published in final edited form as: J Chem Inf Model. 2012 May 29;52(6):1637–1659. doi: 10.1021/ci300009z

Figure 2.

Figure 2

Different CYP-mediated metabolic pathways and model predictions of cinnarizine; solid circles, coarse hashed circles and finely hashed circles designate primary, secondary, and tertiary experimentally observed SOMs for the given isozyme. The numerals near each site designate the primary, secondary and tertiary predicted sites of the given isozyme model of the given method upon the substrate. This molecule does not posses any observed tertiary SOMs, but later graphics that use this labeling scheme do.