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.
Brenda Pfeiffer
Director, Marketing Communications
Molecular Simulations Inc.
9685 Scranton Road
San Diego, CA 92121-3752
USA
619-546-5319
619-458-0136 (fax)
blp@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 product category index for Chemistry, Biochem, Biotechnology.