Synthematix has developed a chemical structure/substructure search engine for Sigma-Aldrich’s e-Commerce site.

St. Louis-based Sigma-Aldrich deployed the Synthematix chemical structure/substructure technology to allow users to draw molecules, combine with name fragments or physical properties, and then search for matches from over 160,000 possible compounds.

Searching for exact structure matches as well as substructures and compounds is now possible, and the results then can be exported in a variety of formats that drug discovery chemists use.

“Sigma-Aldrich is recognized world-wide as the leading supplier of biochemical and organic chemical products for research and development; their e-Commerce site is used by thousands of chemists daily,” said Synthematix CEO Steve Jones. “We are extremely pleased to be able to assist those chemists in effectively and efficiently finding the compounds they need from Sigma-Aldrich. This is a great opportunity to show our technology in action.

Jones adds that chemistry organizations can also use the Synthematix search engine when they use the company’s Arthur Software Suite, designed for enterprise-wide synthetic reaction planning and route exploration.