Table 2 Web applications and databases that use Open Babel

ChemDB

Database of small molecules

http://cdb.ics.uci.edu/

Cheméo

Chemical structure and property search engine

http://www.chemeo.com/

ChemMine Tools

Web application for analysing and clustering small molecules

http://chemmine.ucr.edu/

eMolecules

Chemical vendor search engine

http://emolecules.com/

FragmentStore

Database for comparison of fragments found in metabolites, drugs and toxic compounds

http://bioinf-applied.charite.de/fragment_store/

Frog2

FRee Online druG 3D conformation generation

http://bioserv.rpbs.univ-paris-diderot.fr/cgi-bin/Frog2

hBar Lab

Web application providing on-demand access to computer-aided chemistry

https://www.hbar-lab.com/

IUPHAR-DB

Database of human drug targets and their ligands

http://www.iuphar-db.org/

OpenCDLig

Web application for sharing resources about cyclodextrin/ligand complexes

https://kdd.di.unito.it/casmedchem/

PSMDB

Protein - Small-Molecule Database

http://compbio.cs.toronto.edu/psmdb/

SambVca

Web application for calculation of buried volume of organometallic ligands

https://www.molnac.unisa.it/OMtools/sambvca.php

ScafBank

Database of molecular scaffolds

http://202.127.30.184:8080/scafbank.html

SMARTCyp

Web application for prediction of sites of cytochrome P450 mediated metabolism

http://www.farma.ku.dk/smartcyp/

sMol Explorer

Web application for exploring small-molecule datasets

http://www3a.biotec.or.th/isl/index.php/smol-explorer

SuperImposé

Web application for structural similarity between ligands, binding sites or proteins

http://farnsworth.charite.de/superimpose-web/

SuperToxic

Database of toxic compounds

http://bioinformatics.charite.de/supertoxic/

SuperSite

Detailed information on, and comparisons of, protein-ligand binding sites

http://bioinf-tomcat.charite.de/supersite/

SuperSweet

Database of natural and artificial sweeteners

http://bioinf-applied.charite.de/sweet/

STITCH2

Chemical-protein interactions

http://stitch.embl.de/

VCCLAB

Virtual Computational Chemistry Laboratory

http://www.vcclab.org/

wwLigCSRre

Web application that performs ligand-based screening using 3D similarity

http://bioserv.rpbs.univ-paris-diderot.fr/Help/wwLigCSRre.html