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Table 5 Descriptors in the selected, their definition, class and Mean effect values

From: In-silico activity prediction, structure-based drug design, molecular docking and pharmacokinetic studies of selected quinazoline derivatives for their antiproliferative activity against triple negative breast cancer (MDA-MB231) cell line

Descriptors

Definition

Class

VIF

MF

AATSC8c

Average centered Broto-Moreau autocorrelation − lag 8/weighted by charges

2D

5.11012

− 0.20071

MATS8c

Moran autocorrelation − lag 8/weighted by charges

2D

5.034677

0.1154

SpMAD_Dzs

Spectral mean absolute deviation from Barysz matrix/weighted by I-state

2D

1.072967

0.305655

BCUTc-1l

nhigh lowest partial charge weighted BCUTS

2D

1.03593

0.779653

  1. VIF VARIANCE INflation factor, MF mean Effect