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Bulletin of the National Research Centre

Table 2 Name of the selected descriptors used in the QSAR model

From: Computational investigation, virtual docking simulation of 1, 2, 4-Triazole analogues and insillico design of new proposed agents against protein target (3IFZ) binding domain

S/NO

Descriptor symbols

Name of descriptor

Class

1

MATS7s

Moran autocorrelation − lag 7/weighted by I-state

2D

2

SM1_DzZ

Spectral moment of order 1 from Barysz matrix/weighted by atomic number

2D

4

TDB3v

3D topological distance-based autocorrelation − lag 3/weighted by van der Waals volumes

D

5

RDF70v

Radial distribution function − 070/weighted by relative van der Waals volumes

3D

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