All Newschemistry data compilations and data bases
data compilations
chemical/biological data bases
- WebElements
- Chemical Abstracts Service
- STN
- STN International, the scientific and technical information network, by theFachinformationszentrum Karlsruhe
- PDB: Protein Data Bank of the Research Collaboratory for Structural Bioinformatics, also containing a full description of the PDB file format
- Klotho: biochemical compounds declarative database at Washington University
- Cambridge Structural Database
- GDCh-BMBF project “Chemiedatenbanken”, FU Berlin
- WWW chemical structures database
- Crystallography World Wide, pointers to structure databases
- searchable bibliography part of the two books relativistic theory of atoms and molecules, by Pekka Pyykkö (alternative search engine)
- Computational Chemistry Results Database, by the Pacific Northwest National Lab
- computational chemistry comparison and benchmark database and “sicklist” (listing of problems that arise from using a particular computational method with a particular molecule), both compiled by the NIST computational chemistry group
- list of links to chemistry databases, published in Nachr.Chem.Tech.Lab. 47 (1999)
- CATFEE, a challenge for molecular docking and prediction of biomolecular binding energies
- Protein Structure Prediction Center, collecting current and previous CASPs (critical assessment of techniques for protein structure prediction)
- The Binding Database, for binding affinities for biological and chemical molecules
- AMBER parameter database by Richard Bryce, U Manchester
- NIST Chemistry Web Book
- list of small molecule databases by Marc Nicklaus at NIH
- Potential energy surfaces for systems like N2-N2 etc., derived from exp.data, as Fortran subroutines; by David Cappelletti
- ChemLin.de, die virtuelle Bibliothek Chemie
- EMSL basis set exchange portal
other data bases
- computer performance database, by netlib
- several versions of Webster’s dictionary online: Hypertext Webster, ARTFL project, andMerriam-Webster
- Roget’s Thesaurus online search form
Last updated on Sun Feb 11 08:45:54 MET DST 2007