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Toronto, Canada (April 11, 2011)—Advanced Chemistry Development, Inc., (ACD/Labs) the software developer known for their chemical and analytical data handling and knowledge management solutions, has joined the Pistoia Alliance as a contributing member. ACD/Labs will provide technical expertise to assist the Alliance’s mission—to lower barriers to R&D innovation by improving the interoperability of business processes....

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...

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...

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...

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...

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...

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...