New ACD/Labs Software Assists in Chemical Structure Design

Advanced Chemistry Development, Inc., (ACD/Labs) is pleased to announce the release of their new software, ACD/Structure Design Suite, that analyses the physicochemical properties of the new chemical entity or parent compound, and suggests subsequent biologically-acceptable substituents and structural modifications, leading to enhanced molecular physical properties, ADME characteristics, or environmental endpoints.

ACD/Structure Design Suite uses the accumulated knowledge of prior successful optimizations, structure-property relationship models, and accurate property foresight to help the user choose the next synthetic pathway. This software builds on the industry standard predictions of physicochemical properties and the ACD/MedChem Advisor software, available since 2004, that quickly became known as a comprehensive toolkit for medicinal chemists. It is designed to provide synthetic, agro, food, and medicinal chemists with a design studio that allows them to rapidly identify and assess chemically relevant modifications, helping achieve desired molecular physical properties and biological endpoints.

ACD/Structure Design Suite helps optimize a selected fragment to achieve the desired properties of the whole molecule. This intuitive software design studio uses an extensive knowledge-base of substituents and property trends to systematically suggest viable modifications that yield the required characteristics.

Carl Dourambeis, PhysChem Product Manager at ACD/Labs, said, “The ease of use and structure generation capabilities makes this a powerful and valuable tool for both the bench chemist and the discovery leader.”

Further information about ACD/Structure Design Suite is available at www.acdlabs.com/sds/ or by emailing sds@acdlabs.com .

About Advanced Chemistry Development

Advanced Chemistry Development, Inc., (ACD/Labs) is a chemistry software company offering solutions that truly integrate chemical structures with analytical chemistry information to produce ChemAnalytics®. ACD/Labs creates 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. Combined, ACD/Labs’ solutions create an analytical informatics system that provides dramatic feed-forward effects on the chemical and pharmaceutical research process. Founded in 1993, and headquartered in Toronto, Canada, ACD/Labs employs a team of over 100 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 www.acdlabs.com .