|
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
|
