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Table 6 Definition of descriptors (model parameters) and their classes for model 4

From: In silico studies of some 2-anilinopyrimidine derivatives as anti-triple-negative breast cancer agents

Descriptors

Description

Class

VR1_Dzv

Randic-like eigenvector-based index from Barysz matrix/weighted by Van der Waals volumes

2D

spMin1_Bhs

Smallest absolute eigenvalue of burden-modified matrix − n 1/weighted by relative I-state

2D

C3SP3

Singly bound carbon bound to three other carbons

2D

MOMI-R

Radius of gyration

2D