FDM Chemical Information Archive( 147,370 Compounds )
Now you can work with a large reviewed collection of CAS
numbers, chemical structures, molecular formulas, and chemical names
and synonyms. You can import these data into your favorite word
processing package, computational chemistry program, QSAR spreadsheet
or database. This archive is an excellent starting tool for many
cheminformatics and bioinformatics projects.
Structures can be delivered as
individual mol files or as an SDF file.
The information with each record includes the chemical name, molecular
formula and molecular weight rounded to an integer value. Many records
have CAS numbers. The chemical information can be delivered in the SDF
file or in small text files with one field per line
delimited by a label such as "MOLFORM=C3H7N2".
Customers seeking support of 3rd party formats (such as
ISIS/BASE, etc.) are asked to contact FDM with specific requirements.
Licensing for this database is strictly on a single-user-single-keyboard basis.
Companies and individuals looking to integrate these data into their chemical
information resources or into products must plan accordingly. Contact FDM for network and bulk license pricing.
