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. 2017 Jul 7;37(4):BSR20160180. doi: 10.1042/BSR20160180

Table 3. Programs that can be used to calculate structure-based druggability.

Name References Pocket search method Druggability score
Function Descriptors
fPocket [92] Geometric criteria based on distance to predetermined points Partial least square analysis Hydrophobicity, normalized polarity and local hydrophobicity density
DoGSiteScorer [100] Geometric criteria based on 3D image enhancement techniques Support vector machine Depth, volume and relative number or apolar amino acids
SiteMap [101] Geometric and energetic criteria on 3D grids Weighted sum of three descriptors Hydrophilicity, degree of enclosure, number of site points