Lead Optimization with New Chem-X

September 1994 -- Recently unveiled at the National ACS Meeting in
Washington, D.C., Chemical Design's Substituent Database provides an
exciting tool for optimizing new product leads. Understanding the effects
of minor structural changes on activity is an important stage in drug
discovery which can lead to early optimization in a series of analogs. New
Chem-X's Substituent Database automates this process.

Given a set of active analogs, the Substituent Database provides QSAR data
for the various aliphatic and aromatic R-group substituents present.
Statistical techniques may then be used to discover relationships with
biological activity, and those properties important for activity may be
identified.

The Substituent Database module contains substituent constants for 318 well
characterized aromatic and aliphatic substituents. These traditional QSAR
parameters are commonly used for examining the electronic, lipophilic and
steric effects of substituent changes. "We believe our new Substituent
Database will prove particularly attractive to medicinal chemists with
their need for powerful desktop modeling tools," commented Dr. Rodney
Young, Chemical Design's Modeling Product Manager. "We have released a low
cost module which is fully integrated with New Chem-X's databases and
advanced statistical analysis techniques, meeting lead optimization
requirements on the desktop."

New Chem-X's modular architecture means you can add this new Substituent
Database with ChemDBS-1 for database handling and ChemStat for statistical
analysis to the entry level Chem-X/MODEL to provide a high performance
lead optimization system for only $7000 on the PC or Apple Macintosh.
Academic discounts of 75% are available.

Chem-X is used by over 600 research sites world-wide, including divisions
of most multinational pharmaceutical companies. Chemical Design has a
reputation for innovation and quality in the development of discovery
tools. Its database technology is proven in the search for new active
drugs. Regular software updates are released and Chemical Design offers
world-wide telephone support and consultancy services.

Chemical Design Inc.
200 Route 17 South, Suite 120
Mahwah, NJ 07430
(201) 529-3323,  Fax (201) 529-2443

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