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Sherry Myles
ACD/Labs unveils work on ACD/Spectrus, a new software platform poised to dramatically improve scientific productivity and collaboration. Toronto, Canada (March 14, 2011)—Advanced Chemistry Development, Inc., (ACD/Labs) makes public their development strategy for ACD/Spectrus, a new analytical chemistry software platform based on ACD/Labs’ broadly used data handling software. Components of the ACD/Spectrus platform will be introduced...

Sherry Myles
Toronto, Canada (Dec. 17, 2010)—ACD/IXCR, ACD/Labs’ Intelligent Compound Recognition software, is being embraced by wastewater analysts for its non-targeted analyte detection and identification capabilities. It is particularly effective in aiding risk assessments and solving water emergencies quickly. This approach circumvents manual data interpretation, reducing the potential for error and affording analysts more time to focus...

Sherry Myles
Toronto, Canada (Nov. 4, 2010)—Advanced Chemistry Development, Inc., (ACD/Labs) announced today that the U.S. Food and Drug Administration (FDA) and ACD/Labs will work together in a five-year research collaboration to develop quantitative structure-activity relationship (QSAR) toxicity models for FDA regulatory and research applications. Under this collaborative agreement, the FDA will provide non-proprietary toxicology data for...

Sherry Myles
Toronto, Canada (June 7, 2010)—Shimadzu has partnered with Advanced Chemistry Development, Inc., (ACD/Labs) to bring together LCMS-IT-TOF high mass accuracy MS/MSn spectrum data with ACD/Labs fragment assignment tools. The goal of this partnership is to provide a means for impurity analysis and metabolite identification researchers to automatically assign high mass accuracy ion fragments to spectral...

Sherry Myles
An article describing structure elucidation methods using NMR achieves status as one of the top 10 most accessed articles in the Journal of Cheminformatics Toronto, Canada (November 3, 2009)—An article entitled ‘Computer-assisted methods for molecular structure elucidation: realizing a spectroscopist’s dream’ written by scientists at Advanced Chemistry Development, Inc., (ACD/Labs), The Russian Academy of Sciences, and...

Joel Michalski
The reliable determination of stereocenters contained within chemical structures usually requires utilization of NMR data, chemical derivatization, molecular modeling, quantum-mechanical (QM) calculations and, if available, X-ray analysis. In this article, we show that the number of stereoisomers which need to be thoroughly verified, can be significantly reduced by the application of NMR chemical shift calculation...

Sherry Myles
Toronto, Canada (February 9, 2009)—Advanced Chemistry Development, Inc., (ACD/Labs) and Pharma Algorithms, Inc., have joined software development and business resources to better serve the extensive Chemical, Environmental, and Pharmaceutical markets, creating a new leader in in silico physicochemical, ADME, Metabolism, and Toxicology screening and prediction. Both private companies have been in business for over a decade and...