MoDeSuS: A Machine Learning Tool for Selection of Molecular Descriptors in QSAR Studies Applied to Molecular Informatics

Table 1

Performances of the three subsets with higher accuracy predictive obtained by using MoDeSuS. The percentage of cases correctly classified (%CC), the Average Receiver Operating Characteristic (ROC), the Matthews Correlation Coefficient (MCC), and the cardinality are reported.

Metrics	Subset_1C	Subset_2C	Subset_3C
%CC	84	81	81
ROC	0.89	0.88	0.87
MCC	0.7	0.66	0.64
Cardinality	15	15	15