From Wikipedia, the free encyclopedia
Chemspider is a service providing access to a database of chemical molecules as well as access to a series of online physicochemical properties including LogP and Polar surface area as well as systematic identifiers including IUPAC names, SMILES strings and InChI codes . The system was first launched in March 2007 in a beta release form. ChemSpider intends to form the basis of a chemical structure centric community for chemists.
[edit] Database and Searching
- The database contains more than 10.5 Million molecules from a number of sources, at present primarily made up of PubChem data. There are a number of modes of searching including querying by systematic names and synonyms (over 9 million), searching by structure or substructures, and searching by a number of inherent and predicted properties including molecular weight, monoisotopic mass, LogP, Boiling Point, Rule of five violations and many other properties. The searches can be filtered using combined searches.
[edit] Services
- A number of services are made available online. These include the conversion of chemical names to chemical structures, the generation of SMILES and InChI strings as well as the prediction of many physicochemical parameters.
[edit] See also
[edit] External links
Chemspider
