ChemSAR: an online pipelining platform for molecular SAR modeling

Table 2 The list of molecular descriptors computed by ChemSAR

Feature group	Features	Number of descriptors
Constitution	Molecular constitutional descriptors	30
Topology	Topological descriptors	35
Connectivity	Molecular connectivity indices	44
E-state	E-state descriptors	245
Kappa	Kappa shape descriptors	7
Basak	Basak descriptors	21
Burden	Burden descriptors	64
Autocorrelation	Moreau-Broto autocorrelation	32
	Moran autocorrelation	32
	Geary autocorrelation	32
Charge	Charge descriptors	25
Property	Molecular property	6
MOE-type	MOE-type descriptors	60
CATS	CATS descriptors	150
Fingerprints	Topological-Torsion fingerprints	1024
	MACCS keys	167
	FP4 fingerprints	307
	FP2 fingerprints	1024
	FP3 fingerprints	210
	E-state fingerprints	79
	Daylight-type fingerprints	1024
	ECFP2 fingerprints	1024
	ECFP4 fingerprints	1024
	ECFP6 fingerprints	1024

ISSN: 1758-2946