Table 1.

Fingerprints used in this study to model different ADMET related properties

Fingerprint	Size
MACCS	166
PUBCHEM	881
Klekota-Roth (KR)	4860
MOLPRINT (RAD2D)	4096
Atom pair (AP), atom triplet (AT)	4096
Local path environments (LSTAR)	4096
All-shortest path (ASP)	4096
Depth first search (DFS)	4096
Extended conectivity (ECFP: 0, 2, 4, 6)	1024
Functional class (FCFP: 0, 2, 4, 6)	1024
Pharmacophore: 2PPHAR/3PPHAR (2/3 point)	4096
ESTATE	79

Descriptions and implementation details of the different fingerprints are provided in the article by Hinselmann et al [21] and the references therein