PyBioMed: a python library for various molecular representations of chemicals, proteins and DNAs and their interactions

Table 2 Molecular fingerprints of chemicals calculated by PyBioMed

Feature group	Features	Number of descriptors
Substructure-based fingerprints	MACCS fingerprints	166
	E-state fingerprints	79
	Ghose–Crippen fingerprints	110
	FP3 fingerprints	210
	FP4 fingerprints	307
	PubChem fingerprints	881
Fingerprints	Daylight-type fingerprints	2048
	Atom pairs fingerprints	2048
	Topological torsion fingerprints	2048
	FP2 fingerprints	1024
	ECFP2 fingerprints	1024
	ECFP4 fingerprints	1024
	ECFP6 fingerprints	1024
	FCFP2 fingerprints	1024
	FCFP4 fingerprints	1024
	FCFP6 fingerprints	1024
	Morgan fingerprints	1024
	Pharm2D2point fingerprints	135
	Pharm2D3point fingerprints	2135

ISSN: 1758-2946