The National Cancer Institute Database 2001.1 contains over 213,000 structures with corresponding 3D models generated using CORINA 2.4 from Molecular Networks GmbH. 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 or implied intent to update the files. Both databases are produced in MDL ISIS (RCG) format for MDL ISIS/Host 3.x and higher and run on Windows NT 4.0 and Sun Solaris operating systems. Both databases are available to customers after completing a no-charge purchase order agreement.
Search for structures and compounds using DiscoveryGate®
The National Cancer Institute Databases 2001.1 is made freely available from MDL and allows researchers to search 213,628 2D structures with corresponding 3D models. Scientists who have purchased MDL® ISIS/Base or have purchased access to MDL® Database Browser on DiscoveryGate can and search and view entries that have been tested for AIDS antiviral activity and compounds tested for the ability to inhibit growth of human tumor cell lines.
Search for structures and compounds using MDL® ISIS/Base
The National Cancer Institute Databases 2001.1 is made freely available from MDL and allows researchers to search 213,628 2D structures with corresponding 3D models. Scientists who have purchased MDL® ISIS/Base or have purchased access to MDL® Database Browser on DiscoveryGate can and search and view entries that have been tested for AIDS antiviral activity and compounds tested for the ability to inhibit growth of human tumor cell lines.
