Table 1 Availability of existing tools for ligand binding site prediction from protein structure introduced since 2009

SiteMap [35]

2009

Geometric

–

Yes

Yes

–

Fpocket [18]

2009

Geometric

Yes

Yes

Yes

Yes

SiteHound [28]

2009

Energetic

Yes

Yes

Yes

Yes

ConCavity [36]

2009

Conservation

Yes

Yes

–

Yes

3DLigandSite [37]

2010

Template

Yes

–

–

–

POCASA [38]

2010

Geometric

Yes

–

–

–

DoGSite [39]

2010

Geometric

Yes

–

–

–

MetaPocket 2.0 [27]

2011

consensus

Yes

–

–

–

MSPocket [81]

2011

Geometric

–

Yes

Yes

Yes

FTSite [40]

2012

Energetic

Yes

–

–

–

LISE [41]

2012

Knowledge/conservation

Yes

Yes

–

–

COFACTOR [42]

2012

Template

Yes

Yes

Yes

–

COACH [43]

2013

Template^{† †}

Yes

Yes

Yes

–

G-LoSA [44]

2013

Template

–

Yes

–

Yes

eFindSite [45]

2013

Template

Yes

Yes

–

Yes

GalaxySite [46]

2014

Template/docking

Yes

–

–

–

LIBRA [47]

2015

Template

Yes

Yes

–

–

P2Rank (this work)

2015*

Machine learning

–**

Yes

Yes

Yes

bSiteFinder [48]

2016

Template

Yes

–

–

–

ISMBLab-LIG [32]

2016

Machine learning

Yes

–

–

–

DeepSite [33]

2017

Machine learning

Yes

–

–

–