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Table 2 Description and class of molecular descriptors in the built model

From: QSAR, QSTR, and molecular docking studies of the anti-proliferative activity of phenylpiperazine derivatives against DU145 prostate cancer cell lines

NameDescriptionClass
VR3_DzpLogarithmic Randic-like eigenvector-based index from Barysz matrix/weighted by polarizabilities2D
VE3_DziLogarithmic coefficient sum of the last eigenvector from Barysz matrix/weighted by first ionization potential2D
Kier3Third kappa (κ) shape index2D
RHSATHSA/total molecular surface area3D
RDF55vRadial distribution function - 055/weighted by relative van der Waals volumes3D