Toronto, Canada (December 3, 2012)—ACD/Labs is pleased to announce that the Medicinal Chemistry department of Hautes Etudes d’Ingenieur (School of High Studies in Engineering) in Lille, France, will be utilizing ACD/Structure Elucidator to help streamline ongoing research efforts.
ACD/Structure Elucidator will be used by the research laboratory of Phillipe Gautret, whose work includes the elucidation of complex by-products. Structure Elucidator is the most peer-reviewed computer-assisted structure elucidation software available today, and has proven to be immensely powerful at elucidating the complex and exotic structures formed in very low amount in some organic syntheses.
Structure Elucidator was found to be suitable for the lab’s work in part due to two key features of the software: NMR spectra prediction based on structures, and concise reporting tools. The software makes it possible to predict NMR spectra, complete with chemical shifts and coupling constants, which can then be compared to experimental data to verify chemical structures. The lab also found the reporting options very valuable, as predictions, experimental results, and verifications can be quickly output with format presets, in a variety of file formats.
Dr. Gautret is confident that the use of Structure Elucidator in the lab’s daily work will increase their research efficiency, both by aiding structural verification and helping to elucidate reaction mechanisms by elucidating the complex structures of some by-products.