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. 2018 Jul 22;23(7):1820. doi: 10.3390/molecules23071820

Table 1.

Descriptor selected as the input of SVR models in the ensemble and their description.

Descriptor SVR A SVR B SVR C Description
SA x Total surface area
n N+O x x Number of nitrogen and oxygen atoms
V m x x x Molecule volume
PSA x x Polar surface area
HBD x x Number of hydrogen bond donating groups
n Rot x x Number of rotatable bonds
n Ar x Number of aromatic rings

Selected.