Catalyst/Hypo helps drug discovery teams seeking active leads to prioritize synthetic work. Catalyst/Hypo is used in situations where one or more active structures are identified but no detailed structural informatin about the bioactive receptor is available. It generates 3-D hypotheses to explain the variations of activity with structure. These hypotheses can be visually inspected to help the scientist infer the chemical effects that mediate a compound's activity. The chemist can sketch a molecule and automatically get back a predicted activity based on a fit to the 3-D hypothesis; this helps to concentrate experiment on likely active compounds.
Jo Ellen Collins
Dir., Inside Sales/Mar Com
Molecular Simulations, Inc.
16 New England Executive Park
Burlington, MA 01803
USA
617-229-9800
617-229-9899 (fax)
jcollins@msi.com
For applications in related solution areas, see the following indices: Bioengineering, Biology, Computational Chemistry, Molecular Biology, Molecular Modeling, the developer index for Molecular Simulations, Inc. and the market segment index for Chemistry, Biochem, Biotech, Materials.
