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Structure elucidation of complex natural products and new organic compounds remains a challenging problem. To support this endeavor, CASE (computer-assisted structure elucidation) expert systems were developed. These systems are capable of generating a set of all possible structures consistent with an ensemble of 2D NMR data followed by selection of the most probable structure on...

The Max-Planck Institute for Biophysical Chemistry have replaced their paper lab journals with the ACD/Spectrus Platform to access all of their data via an interface that they created and optimized in house.

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...

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...