Chemical informatics: Difference between revisions

Latest revision as of 23:35, 24 February 2014

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-Chemical Informatics is the art and science of manipulating chemical structure, particularly in a biological context. Many but not all of us are mainly looking for new ligands for biological targets.
+#REDIRECT [[Category:Cheminformatics]]
-== Freeware ==
-* [http://jmol.sourceforge.net JMol]
-* [http://cdk.sourceforge.net CDK]
-* [http://openbabel.sourceforge.net OpenBabel]
-== Freely Available Databases ==
-* ZINC
-* PubChem
-* KEGG
-== Free to Academics engaged in non-commercial projects ==
-* [http://www.chemaxon.com ChemAxon JChem Marvin]
-* [http://www.eyesopen.com OpenEye]
-* [http://www.xemistry.com Cactvs]
-* [http://www.cgl.ucsf.edu Chimera]
-* [http://pymol.sourceforge.net PyMol]
-*
-== Feeware ==
-* [http://www.molecularnetworks.com Molecular Networks]
-* [http://www.molinspiration.com Molinspiration]
-* [http://www.schrodinger.com Schrodinger]
-* [http://www.pipelinepilot.com Pipeline Pilot]
-* [http://www.biosolveit.com BioSolveIT]
-* [http://www.daylight.com Daylight]
-== Database Vendors ==
-* MDL
-* Beilstein
-*
-== Applications ==
-* Docking: virtual screening
-- DOCK
-- FRED
-- ICM
-- Glide
-* Docking: accurate geometries
-- GOLD
-- FlexX
-* De Novo Design
-- One
-* Database Management Systems
-- Daylight
-- MDL
--
-* Desktop modeling
-- PyMol
-- Chimera
-* Comprehensive Packages
-* ADME(T)
-* QSAR
-* Bioisosteres
-* hit-to-lead
-== US Government Grants ==
-* P20 ECCR
-* NIH Roadmap