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. Author manuscript; available in PMC: 2013 Nov 1.
Published in final edited form as: Mol Inform. 2012 Oct 11;31(11-12):783–792. doi: 10.1002/minf.201200065

Table 5.

Comparison of CYP models constructed from atom types and other descriptors.

AUC-ROC CYP Isozymes
1A2 2C19 2C9 2D6 3A4
Atom Types 0.82 0.76 0.84 0.76 0.84
ECFP_6 0.75 0.72 0.84 0.74 0.84
MOE 2D 0.68 0.76 0.74 0.65 0.83

Abbreviations: AUC-ROC = area under the receiver operator characteristic curves.