Interaction fingerprint-based |
SIFt [132] |
Fingerprint encoding seven predefined types of target–ligand interactions. |
PLIP [133] |
A web service for the detection and visualization of seven protein–ligand interaction types considering a 3D space. |
FLIP [134] |
For each residue, 7 different interactions are represented in 10 bits. |
PADIF [135] |
Fingerprints with the inclusion of information relative to the strength of interactions and unfavorable ones. |
Pharmacophore-based |
LigandScout [125] |
Pharmacophores derived from six types of nonbonded protein-ligand interactions and volume constraints. |
FLAP [126] |
Four-point pharmacophore fingerprints with a shape component. |
IChem [136] |
Converts the protein–ligand interaction pattern in fingerprints and graphs. |
TIFP [137] |
Encodes a string of unique triplets (two interacting atoms and an interaction pseudo-atom). |