Tehdyt toimenpiteet
Databases
Please check the links for further information on the chemistry databases provided by CSC
- CSD - Cambridge Structural Database System and the related Mercury,ConQuest, SuperStar, IsoStar, VISTA and Mogul programs.
- Reaxys - Database for organic and inorganic chemistry. Includes Beilstein, Gmelin and patent databases, and also a synthesis planner tool. This has replaced Crossfire.
- PDB - Protein Data Bank available via CSC.
- RTAM - Bibliographic database of relativistic calculations on atoms and molecules.
- See also Biodatabases at CSC
Free databases on the web
There are also some completely free chemical databases in the web. If you know of other databases and you would like to have them listed here, contact Atte.- NIST Chemistry webbook- Structures, spectra, properties.
- Pubchem, hosted by NCBI - Structures, properties, structural searches, etc.
- ZINC - A free database for virtual screening - Structures, properties, structural searches, etc.
- Chemspider - Structures (2D, 3D), properties, structural searches, etc.
- Spectral Database for Organic Compounds SDB - NMR, IR, Raman, etc. spectra from a Japanese database.
- Espacenet Patent database (in Finnish)
- United States Patent and Trademark Office Patent database
- eMolecules Structure searchable database with some 8 million unique chemicals
- Chemical Structure Lookup Service some 30 million molecules hosted by NIH
Guidance for CSC's chemistry databases is available in CSC Guide Book on Databases (in Finnish). You can also have a look at a blog entry about the 32 best free chemistry databases.
