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MDL® Discovery Experiment Management
MDL® Discovery Predictive Science
National Cancer Institute Databases
The National Cancer Institute Databases 2001.1 replaces the National Cancer Institute 94.1 database and contains 213,628 2D structures with corresponding 3D models generated using CORINA 2.4 from Molecular Networks. Four publicly available National Cancer Institute databases were consolidated to produce this data set:
- The NCI 127K database consisting of 127,00 structures with CAS registry numbers
- The Plated Compounds database containing 140,000 non-proprietary samples which are offered to the extramural research community
- The AIDS Database, containing 42,687 entries that have been tested for AIDS antiviral activity
- The Cancer database containing dose response data for 37,836 compounds tested for the ability to inhibit the growth of human tumor cell lines
This is one of two National Cancer Institute databases that MDL now offers. These databases are provided as a public service to MDL customers and there are no maintenance charges nor implied intent to update the files. Both databases are produced in MDL ISIS (RCG) format for MDL ISIS/Host 3.x and 4.0 and run on Open VMS, AIX/IRIX, Windows NT 4.0 and Sun Solaris operating systems. Both databases are available to customers after completing a nocharge purchase order agreement.
Size:
213,628 molecules
212,869 models
Disk space:
1.5 GB tablespace (ISIS/Host RCG)
For more information, please contact your local MDL office, or send an email to info@mdli.com.Last Updated 24-Apr-2002
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