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. 2023 Oct 10;13(42):29749–29767. doi: 10.1039/d3ra05799b

Selected descriptors used in the QSAR modela.

Descriptors Description Class MLR of the selected descriptors
AATS6p Average Broto–Moreau autocorrelation – lag 6/weighted by polarizabilities 2D RSE: 0.02785
AATS7p Average Broto–Moreau autocorrelation – lag 7/weighted by polarizabilities 2D Multiple R-squared: 0.9982
AATS8p Average Broto–Moreau autocorrelation – lag 8/weighted by polarizabilities 2D Adjusted R-squared: 0.9894
AATS0i Average Broto–Moreau autocorrelation – lag 0/weighted by first ionization potential 2D F-Statistic: 112.8
SpMax4_Bhv Largest absolute eigenvalue of Burden modified matrix – n 4/weighted by relative van der Waals volumes 2D p-Value: 0.07135
a

MLR: multiple linear regression; RSE: residual standard error.