Oral bioavailability models.

<p>The performance of machine learning algorithms for the prediction of oral bioavailability (panel A) was measured as the average accuracy of 10-fold cross-validation (the algorithm showing highest predictive accuracy indicated in blue). Heat map analysis of descriptors between positive and negative instance of oral bioavailability (panel B) showing significant difference in descriptors depicts the high (red) and low (yellow) relative levels of descriptor variations. The predictive accuracy of the logistic algorithm was based on individual descriptors compared to the 47 combined descriptors of oral bioavailability data set (panel C).