Name | Description | Reference | Web page |
---|---|---|---|
ChemDB | Database of small molecules | [91] | |
Cheméo | Chemical structure and property search engine | Céondo Ltd | |
ChemMine Tools | Web application for analysing and clustering small molecules | [92] | |
eMolecules | Chemical vendor search engine | eMolecules.com | |
FragmentStore | Database for comparison of fragments found in metabolites, drugs and toxic compounds | [93] | |
Frog2 | FRee Online druG 3D conformation generation | [94] | |
hBar Lab | Web application providing on-demand access to computer-aided chemistry | hBar Solutions ApS | |
IUPHAR-DB | Database of human drug targets and their ligands | [95] | |
OpenCDLig | Web application for sharing resources about cyclodextrin/ligand complexes | [96] | |
PSMDB | Protein - Small-Molecule Database | [97] | |
SambVca | Web application for calculation of buried volume of organometallic ligands | [98] | |
ScafBank | Database of molecular scaffolds | [99] | |
SMARTCyp | Web application for prediction of sites of cytochrome P450 mediated metabolism | [100] | |
sMol Explorer | Web application for exploring small-molecule datasets | [101] | |
SuperImposé | Web application for structural similarity between ligands, binding sites or proteins | [102] | |
SuperToxic | Database of toxic compounds | [103] | |
SuperSite | Detailed information on, and comparisons of, protein-ligand binding sites | [104] | |
SuperSweet | Database of natural and artificial sweeteners | [105] | |
STITCH2 | Chemical-protein interactions | [106] | |
VCCLAB | Virtual Computational Chemistry Laboratory | [107] | |
wwLigCSRre | Web application that performs ligand-based screening using 3D similarity | [108] | http://bioserv.rpbs.univ-paris-diderot.fr/Help/wwLigCSRre.html |