P450 Analyzer

P450 Analyzer: Prediction of P450 inducer and inhibitors

Characteristics of the training sets and prediction accuracy of consensus QSAR models for CYPs inhibitors.

CYPs	Number of compounds	Interval of values	Mean	R²	Q²	SD
1A2	1216	[1.6:8.8]	5.47	0.999	0.680	0.625
2C9	1657	[1.6:9.0]	5.28	0.994	0.609	0.512
2C19	930	[2.8:8.3]	5.16	0.992	0.501	0.519
2D6	1588	[1.2:9.2]	5.32	0.972	0.566	0.567
3A4	3299	[1.4:10.3]	5.39	0.992	0.640	0.528

The results of SAR prediction for classification .