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Table 10 Definition of descriptors and their classes for the model

From: QSAR, molecular docking studies, ligand-based design and pharmacokinetic analysis on Maternal Embryonic Leucine Zipper Kinase (MELK) inhibitors as potential anti-triple-negative breast cancer (MDA-MB-231 cell line) drug compounds

Name Definition Class Mean effect
ATSC6i Centered Broto-Moreau autocorrelation—lag 6/weighted by first ionization potential 2D 0.9884
ATSC8i Centered Broto-Moreau autocorrelation-lag 8/weighted by first ionization potential 2D 0.0262
GATS5s Geary autocorrelation-lag 5/weighted by L I-state 2D 0.0695
VR1_Dze Randic-like eigenvector-based index from Barysz matrix/weighted by Sanderson electronegativities 2D 0.0166
C2SP3 Singly bound carbon bound to two other carbons 2D −0.1006