Chemical Design is pleased to announce a new version of its specialist
polymer module, ChemPolymer, within the latest release of Chem-X.
Exploiting Chem-X's open architecture, ChemPolymer integrates polymer
building and property calculation with Chem-X's powerful interactive
analysis and display facilities, including polymer properties displayed as
spectra. ChemPolymer is designed to help researchers evaluate the
properties of potential new polymer structures prior to synthesis, and has
special functionality for handling amorphous polymers.

With ChemPolymer the process of polymer building is automated, providing
facilities that are not only highly flexible and customizable, but which
are also very easy to use.

Using advanced building techniques, ChemPolymer can generate regular,
blocked and random copolymers from a library of monomers. This library can
easily be extended by the user by adding new monomeric units according to
their requirements. ChemPolymer can handle branching to form network and
star polymers. Stereochemical control allows the specification of atactic,
isotactic or syndiotactic polymers. Building may also be carried out under
kinetic control to create mixed copolymers. Polymer chains can be packed
to form crystalline domains as well, for instance to allow the modelling
of polymer chain interactions with crystal faces.

A wide range of physical or bulk polymer properties may be calculated using
techniques based on single-chain statistical mechanics. Thermodynamic
properties and their temperature dependence can be analyzed. Correlations
between modelling parameters and observed properties may be examined using
existing Chem-X facilities which are fully integrated with ChemPolymer.

The new display features of ChemPolymer include the clear visualization of
polymer properties, eg force constant vs. temperature, as 2D spectra. The
spectra may be displayed alongside the polymer molecule for comparison,
and a number of layout options for the display are available. Polymer
spectra are now also stored automatically in databases enabling them to be
accessed easily for further analysis.

Chemical Design is the leading supplier of molecular modeling and 3D
database systems, with over 350 installations of its Chem-X software
worldwide. Chem-X is used for new product research in areas as diverse as
pharmaceuticals, agrochemicals, petrochemicals, polymers and protein
engineering. It provides facilities for structure visualization,
computation and databases. Customers include divisions of most major
multinational chemical and pharmaceutical companies as well as many
leading academic research centers. Chem-X is available for PC, Apple
Macintosh, UNIX workstation and VAX computers.

Chemical Design, 200 Route 17 South, Suite 120, Mahwah, NJ 07430
201-529-3323

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