|
APfp
|
21-D atom-pair fingerprint, perceives molecular shape
|
[43]
|
|
Xfp
|
55-D atom category extended atom-pair fingerprint, perceives pharmacophores
|
[43]
|
|
MQN
|
42-D Molecular Quantum Numbers, scalar fingerprint counting atoms, bonds, polarity and ring features, perceives constitution, topology and molecular shape
|
[38]
|
|
SMIfp
|
34-D scalar fingerprint counting occurrence of characters in SMILES, perceives rings, aromaticity, and polarity
|
[42]
|
|
Sfp
|
1024-D binary daylight type substructure fingerprint, perceives detailed substructures
|
[49]
|
|
ECfp4
|
1024-D binary circular extended connectivity fingerprint, perceives detailed substructures and pharmacophores
|
[50]
|
|
Ffp1
|
Fusion fingerprint, Xfp + SMIfp + Sfp
|
This work
|
|
Ffp2
|
Fusion fingerprint, Xfp + MQN + SMIfp
|
This work
|
|
Ffp3
|
Fusion fingerprint, Xfp + SMIfp + Sfp + ECfp4
|
This work
|
|
Ffp4
|
Fusion fingerprint, Xfp + MQN + SMIfp + Sfp + ECfp4
|
This work
|
