Combined Ligand/Structure-Based Virtual Screening and Molecular Dynamics Simulations of Steroidal Androgen Receptor Antagonists

Table 2

The selected descriptors used to build QSAR model and corresponding meanings.

Descriptor	Meaning	Descriptor type
IC5	Information content index (neighborhood symmetry of 5-order)	Information indices
GATS5e	Geary autocorrelation, lag 5/weighted by atomic Sanderson electronegativities	2D autocorrelations
DISPp	d COMMA2 value/weighted by atomic polarizabilities	Geometrical descriptors
HATS3u	Leverage-weighted autocorrelation of lag 3/unweighted	GETAWAY descriptors