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Table 6 Computed model descriptor values

From: Computational modelling studies of some 1,3-thiazine derivatives as anti-influenza inhibitors targeting H1N1 neuraminidase via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions

Descriptor class Descriptor code Description
2D ATS7s Broto-Moreau autocorrelation—lag 7/weighted by I-state
2D SpMax5_Bhv Largest absolute eigenvalue of Burden modified matrix—n 5/weighted by relative van der Waals volumes
2D nHBint6 Count of E-State descriptors of strength for potential hydrogen bonds of path length 6
3D TDB9m 3D topological distance-based autocorrelation—lag 9/weighted by mass