M3S-GRPred: a novel ensemble learning approach for the interpretable prediction of glucocorticoid receptor antagonists using a multi-step stacking strategy

Table 1 Summary of five SMILES-based feature descriptors used in this study

Fingerprint	#Feature	Description	References
AP2D	780	Presence of atom pairs at various topological distances	[36]
CKDExt	1024	Extends the fingerprint with additional bits describing ring features	[40]
MACCS	166	Binary representation of chemical features defined by MACCS keys	[37]
Pubchem	881	Binary representation of substructures defined by PubChem	[38]
FP4C	307	Count of SMARTS patterns for functional groups	[39]

ISSN: 1471-2105