Exploring QSAR for Antimalarial Activities and Drug Distribution within Blood of a Series of 4-Aminoquinoline Drugs Using Genetic-MLR

Table 3

Brief description of molecular descriptors used in the different modeling approaches.

GETAWAY descriptors
H4u	H autocorrelation of lag 4/unweighted
HATS5u	leverage-weighted autocorrelation of lag 5/unweighted
R2u+	R maximal autocorrelation of lag 2/unweighted
R8u+	R maximal autocorrelation of lag 8/unweighted
R3m	R autocorrelation of lag 3/weighted by atomic masses
R4m+	R maximal autocorrelation of lag 4/weighted by atomic masses
3D-MoRSE descriptors
Mor16u	3D-MoRSE—signal 16/unweighted
Mor06m	3D-MoRSE—signal 06/weighted by atomic masses
Mor24m	3D-MoRSE—signal 24/weighted by atomic masses
Mor32v	3D-MoRSE—signal 32/weighted by atomic van der Waals volumes
RDF descriptors
RDF020u	Radial Distribution Function—2.0/unweighted
RDF095u	Radial Distribution Function—9.5/unweighted
RDF040m	Radial Distribution Function—4.0/weighted by atomic masses
RDF090m	Radial Distribution Function—9.0/weighted by atomic masses
RDF095m	Radial Distribution Function—9.5/weighted by atomic masses
WHIM descriptors
G3p	3st component symmetry directional WHIM index/weighted by atomic polarizabilities
Gu	G total symmetry index/unweighted
2D autocorrelations
MATS4m	Moran autocorrelation—lag 4/weighted by atomic masses
MATS6m	Moran autocorrelation—lag 6/weighted by atomic masses