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Table 4 Selected descriptors used in the QSAR model

From: Theoretical activity prediction, structure-based design, molecular docking and pharmacokinetic studies of some maleimides against Leishmania donovani for the treatment of leishmaniasis

S/no

Descriptor symbol

Description

Class

1

ATSC6v

Centred Broto–Moreau autocorrelation of lag 6 weighted by van der Waals volume

2D

2

GATS5c

Geary autocorrelation of lag 5 weighted by gasteiger charge

2D

3

SpMin8_Bhs

The smallest absolute eigenvalue of Burden modified matrix − n 8/weighted by relative I-state

2D

4

LOBMIN

The L/B ratio for the rotation that results in the minimum area

3D