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Insight into the Interactions between Novel Isoquinolin-1,3-Dione Derivatives and Cyclin-Dependent Kinase 4 Combining QSAR and Molecular Docking

Table 2

The actual pIC50, predicted pIC50 (Pred.) and their residuals (Res.) of the training and test set molecules.

Table 2

doi: https://doi.org/10.1371/journal.pone.0093704.t002