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Scientists at Merck published an article about using ChromGenius to predict retention times of new compounds. Abstract We introduce a new workflow that relies heavily on chemical quantitative structure-retention relationship (QSRR) models to accelerate method development for micro/mini-scale high-throughput purification (HTP). This provides faster access to new active pharmaceutical ingredients (APIs) through high-throughput experimentation (HTE)....

Improved functionality within ACD/ChemAnalytical Workbook and the ACD/Spectrus Platform streamlines chemical mixture analysis. PITTCON 2016, Atlanta, GA (March 7, 2016)—ACD/Labs, a leading cheminformatics company, today announced it will introduce a set of new mixture analysis capabilities to its ACD/ChemAnalytical Workbook and ACD/Spectrus Platform. For more than a decade ACD/Labs’ software solutions have been used for...

Web-based interface and new Spectrus Portal technology provides vendor neutral, multi-technique results from analytical experiments to laboratory chemists New Orleans, LA, PITTCON (March 9, 2015)—Answering the growing end-user and IT demand for interface simplicity and seamless deployment, informatics provider ACD/Labs announced a new web-enabled ACD/Spectrus Portal to extend its ACD/Spectrus analytical and chemical laboratory intelligence...

Designed for scientists working with formulated products, ACD/ChemAnalytical Workbook enables faster decision-making and knowledge-sharing by capturing interpretation knowledge and connecting disparate analytical information with chemical context. Successful deployments of tools offering functionality typically attributed to LIMS and ELNs that were previously built as customized solutions for individual customers, are now available in an off-the-shelf product....

Featured in more than 30 publications, including highly-cited and accessed journal articles, the scientific strengths of ACD/Structure Elucidator continue to be detailed in peer-reviewed literature. Toronto, Canada (July 3, 2013)—Having featured in more than 30 scientific articles to date, ACD/Structure Elucidator continues to be the most peer-reviewed Computer-Assisted Structure Elucidation (CASE) software available in the...

Faster, simplified processing of NMR data at every chemists’ desktop, with clear and easy reporting Toronto, ON, Canada (August 23, 2012)—One of China’s leading pharmaceutical contract research organizations (CROs) is providing each of their thousands of chemists in China with ACD/NMR Processor software. The CRO services a huge number of drug discovery and development projects...

Correlation of chemical structures with chromatographic peak retention times—just one way ACD/Labs offers a head start in faster method development Toronto, ON, Canada (June 17, 2012)—With the announcement of new ACD/Chrom Workbook—part of the ACD/Spectrus chemical and analytical knowledge management portfolio—and release of a new version of ACD/AutoChrom, ACD/Labs brings version 2012 of its software...

Toronto, ON, Canada (May 22, 2012)—The Open PHACTS consortium is pleased to announce an Associate Partner relationship with Advanced Chemistry Development, Inc., (ACD/Labs) who will be supplying a number of predicted physicochemical properties for inclusion within the project data. ACD/Labs is one of the primary suppliers of prediction algorithms to the life sciences industry and...