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Table 2 Web applications and databases that use Open Babel
| Name | Description | Reference | Web page |
|---|---|---|---|
| ChemDB | Database of small molecules | [91] | http://cdb.ics.uci.edu/ |
| Cheméo | Chemical structure and property search engine | Céondo Ltd | http://www.chemeo.com/ |
| ChemMine Tools | Web application for analysing and clustering small molecules | [92] | http://chemmine.ucr.edu/ |
| eMolecules | Chemical vendor search engine | eMolecules.com | http://emolecules.com/ |
| FragmentStore | Database for comparison of fragments found in metabolites, drugs and toxic compounds | [93] | http://bioinf-applied.charite.de/fragment_store/ |
| Frog2 | FRee Online druG 3D conformation generation | [94] | http://bioserv.rpbs.univ-paris-diderot.fr/cgi-bin/Frog2 |
| hBar Lab | Web application providing on-demand access to computer-aided chemistry | hBar Solutions ApS | https://www.hbar-lab.com/ |
| IUPHAR-DB | Database of human drug targets and their ligands | [95] | http://www.iuphar-db.org/ |
| OpenCDLig | Web application for sharing resources about cyclodextrin/ligand complexes | [96] | https://kdd.di.unito.it/casmedchem/ |
| PSMDB | Protein - Small-Molecule Database | [97] | http://compbio.cs.toronto.edu/psmdb/ |
| SambVca | Web application for calculation of buried volume of organometallic ligands | [98] | https://www.molnac.unisa.it/OMtools/sambvca.php |
| ScafBank | Database of molecular scaffolds | [99] | http://202.127.30.184:8080/scafbank.html |
| SMARTCyp | Web application for prediction of sites of cytochrome P450 mediated metabolism | [100] | http://www.farma.ku.dk/smartcyp/ |
| sMol Explorer | Web application for exploring small-molecule datasets | [101] | http://www3a.biotec.or.th/isl/index.php/smol-explorer |
| SuperImposé | Web application for structural similarity between ligands, binding sites or proteins | [102] | http://farnsworth.charite.de/superimpose-web/ |
| SuperToxic | Database of toxic compounds | [103] | http://bioinformatics.charite.de/supertoxic/ |
| SuperSite | Detailed information on, and comparisons of, protein-ligand binding sites | [104] | http://bioinf-tomcat.charite.de/supersite/ |
| SuperSweet | Database of natural and artificial sweeteners | [105] | http://bioinf-applied.charite.de/sweet/ |
| STITCH2 | Chemical-protein interactions | [106] | http://stitch.embl.de/ |
| VCCLAB | Virtual Computational Chemistry Laboratory | [107] | http://www.vcclab.org/ |
| wwLigCSRre | Web application that performs ligand-based screening using 3D similarity | [108] | http://bioserv.rpbs.univ-paris-diderot.fr/Help/wwLigCSRre.html |
