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Deployment of ACD/Spectrus software provides an efficient, common software environment for data processing and analysis, helping scientists leverage analytical knowledge. Toronto, CANADA (Oct. 19, 2016)—ACD/Labs, an informatics company that develops and commercializes solutions in support of R&D, today announced that Willmar Schwabe Pharmaceuticals, a leading phytopharmaceuticals company,  selected software on the ACD/Spectrus Platform to aid...

V2016.1 of ACD/Spectrus and ACD/Labs Percepta delivers improved knowledge sharing and data-driven decision support for R&D organizations. Toronto, Canada (October 12, 2016)—ACD/Labs, an informatics company that develops and commercializes solutions in support of R&D, today announced new updates across its suite of informatics software products. Version 2016.1 delivers improved functionality to a broad range of...

Fast and easy access to chemistry information, for more than 700,000 chemicals in the EPA’s new Chemistry Dashboard, via ACD/ChemSketch. Toronto, Canada (August 23, 2016)—ACD/Labs, a leading cheminformatics company, today announced that the U.S. Environmental Protection Agency’s Interactive Chemical Safety for Sustainability (iCSS) Chemistry Dashboard, a publicly accessible web application that supports scientists’ chemical research,...

This article discusses how using the mean of the LRI values predicted by RapidMiner and ACD/ChromGenius, in combination with accurate mass data, could enhance the confidence level for compound identification from the analysis of complex matrixes; the goal being to reduce the list of putative candidates to a reasonable number that can be obtained and...

This case study explores how a global specialty company replaced their in-house system for processing and analysis of NMR samples with Spectrus Processor. “Spectrus [Processor] is more functional than our old system and I find the software to be far more intuitive. We’ve had very few problems since we deployed the software and technical support...

New informatics platform delivers efficient, comprehensive metabolite identification and characterization; reduces the bottleneck of LC/MS data analysis; and facilitates knowledge sharing. ASMS 2016, San Antonio, Texas (June 6, 2016)—ACD/Labs, a leading informatics company, today announced the launch of MetaSense, an automated metabolite identification platform. This new product combines the industry’s most-comprehensive metabolic transformation prediction with...

The successful elucidation of an unknown compound’s molecular structure often requires an analyst with profound knowledge and experience of advanced spectroscopic techniques, such as Nuclear Magnetic Resonance (NMR) spectroscopy and mass spec-trometry. The implementation of Computer-Assisted Structure Elucidation (CASE) software in solving for unknown structures, such as isolated natural products and/or reaction impurities, can serve...