Deliver Your News to the World

Creating a Shorter Path to New Chemical Entities with Property Optimization Software


Hungarian drug manufacturer deploys suite of software tools that assist with structure-based drug design at one of its research facilities in Budapest.

Toronto, Canada (January 8, 2009)—Egis Pharmaceuticals, one of the leading pharmaceutical companies in Central Europe sought to increase the efficiency of its Chemical Research Division, and has now done so by implementing software that predicts physicochemical properties of compounds based on their structure. This shortens the time needed to optimize the structure of new chemical entities.

For Egis, a producer of generic drugs and active pharmaceutical ingredients, a major challenge exists in finding ways to reduce the time required to get new products to market. Chemists at Egis identified syntheses as one of the bottlenecks in their workflow, and sought a way of reducing the number of syntheses likely to produce analogs with undesirable physicochemical characteristics. This is in keeping with the “Fail Early, Fail Often” approach; widely used by pharmaceutical companies to reduce costs.

They found a solution in ACD/Structure Design Suite from Advanced Chemistry Development, Inc., (ACD/Labs). ACD/Structure Design Suite enables users to optimize the physical properties of a compound before synthesis, by predicting properties, and suggesting a list of possible analogs of the compound based on various modifications to its chemical structure.

“We have found ACD/Structure Design Suite a useful and efficient tool in supporting chemical research.” said Dr. József Barkóczy, Head of Chemical Research Division at Egis Pharmaceuticals. ”It is used by all our bench chemists to predict the physicochemical properties of their analogs, in order to shorten optimization of new chemical entities"

Egis has experience with ACD/Labs software—employing NMR prediction, and data processing and management tools, in addition to chemical nomenclature software, in other divisions of the company.

ACD/Structure Design Suite uses ACD/Labs full range of industry-standard physicochemical prediction tools including logP, pKa, solubility, and logD to suggest changes according to specific synthetic goals. The software is customizable to allow users to create a set of criteria for acceptable property limits, and graphing and filtering tools to help focus on better results. By adding experimentally measured data, prediction accuracy for novel or proprietary compounds can be increased.

For more information about ACD/Labs chemistry software visit our website.

About Egis Pharmaceuticals PLC
EGIS Pharmaceuticals PLC is one of the leading pharmaceutical companies in Central Europe. Our most important activities are the production of pharmaceuticals and active pharmaceutical ingredients, pharmaceutical research and development, sales of finished products and active pharmaceutical ingredients. Information about Egis Pharmaceuticals and its products is available at

About Advanced Chemistry Development
Advanced Chemistry Development, Inc., (ACD/Labs) is a chemistry software company offering innovative software packages that aid chemical research scientists worldwide with spectroscopic validation of structures, elucidation of unknown substances, chromatographic separation, medicinal chemistry, preformulation of novel drug agents, systematic nomenclature generation, and chemical patenting and publication. Founded in 1994, and headquartered in Toronto, Canada, ACD/Labs employs a team of over 145 dedicated individuals whose continual efforts carry ACD/Labs’ innovative technologies into pharmaceutical, biotech, chemical, and materials companies throughout the world. Information about Advanced Chemistry Development and its products is available at


 pharmaceutical research
 property prediction
 structure design suite
 drug design
 molecular properties

This news content may be integrated into any legitimate news gathering and publishing effort. Linking is permitted.

News Release Distribution and Press Release Distribution Services Provided by WebWire.