Fig. 7

Graphical representation of the double descriptors (\(f_{k}^{2}\)) for the most active BM-01 sites studied using the DFT method with the B3LYP/6-311G(d,p) base set.
Graphical representation of the double descriptors (\(f_{k}^{2}\)) for the most active BM-01 sites studied using the DFT method with the B3LYP/6-311G(d,p) base set.