Catalyst/Info lets the chemist find and identify structurally diverse leads by using a hypothesis as a search query against one or more databases which may contain hundreds of thousands of molecules. These databases may be company-proprietary or commercial. The hypothesis used can be either generated by Catalyst/Hypo, or constructed by hand from a crystal structure. The hypothesis can include 3-D binding features, 2-D structural constraints, and 1-D property constraints. Using 1-D, 2-D, and 3-D constraints, Catalyst/Info hit lists can be used to select compounds for assay, or to guide synthesis of new compounds. It provides a flexible, powerful, and rapid 2-D and 3-D structure and substructure search system.
Brenda Pfeiffer
.Marketing Specialist
MSI
9685 Scranton Road
San Diego, CA 92121-2777
USA
619-546-5319
619-458-0136 (fax)
blp@msi.com
For applications in related solution areas, see the following indices: Biology, Computational Chemistry, Molecular Biology, Molecular Modeling, the developer index for MSI and the market segment index for Chemistry, Biochem, Biotech, Materials.
