Table 2 The list of molecular fingerprints covered by ChemDes

FP2 fingerprints

A

FP3 fingerprints

A

FP4 fingerprints

A, B

MACCS fingerprints

A, B, C, D, E, F

Daylight-type fingerprints

B

E-state fingerprints

B, C, D, E

Atom Paris fingerprints

B, D, E

Torsions fingerprints

B, D

Morgan fingerprints

B, D

CDK fingerprints

C, E

Pubchem fingerprints

C, E

CDK extended fingerprints

C, E

Klekota-Roth fingerprints

C, E

GraphOnly fingerprints

C, E

Hybridization fingerprints

C

Substructure fingerprints

C, E

RDK fingerprints

D

Layered fingerprints

D

Pattern fingerprints

D

Klekota-Roth fingerprint count

E

Substructure fingerprint count

E

2D atom pairs count

E

Others^a

F