Research Article
An Infrastructure to Mine Molecular Descriptors for Ligand Selection on Virtual Screening
Table 2
Evaluation metric results of the first set of data mining experiments for validating the proposed architecture. Columns 1 and 2 detail the decision tree experiment. Column 3 corresponds to the accuracy value of the respective decision tree. Column 4 is the size of the tree. Columns 5 and 6 are the RMSE and MAE metrics. Column 7 is the -measure obtained in each induced decision tree.
|