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Structure verification is a key activity that an NMR spectroscopist undertakes every day. Reliably labeling structures as “correct” or “incorrect” is not always an easy task and is often entrusted to automated systems for execution. It is not uncommon, however, that the proposed structure that the recorded dataset is to be checked against is biased...

V2017.1 release of ACD/Spectrus software introduces an innovative solution for impurity data management and exciting developments for deconvolution and analysis of mixtures Toronto, Canada (October 18, 2017)—ACD/Labs, an informatics company that develops and commercializes solutions in support of R&D, today announced new updates across its ACD/Spectrus Platform, the company’s suite of informatics software products. Version...

This article discusses how QbD requirements for risk assessment, process assessment, material assessment, documentation, and traceability can be addressed with informatics, using development of an impurity control strategy as an example.

Integration of ACD/Labs’ NMR prediction software with Pearson’s online digital learning technology helps undergraduate students learn about the relationship between spectroscopic data and chemical structures Toronto, Canada (August 29, 2017)—ACD/Labs, an informatics company that develops and commercializes solutions in support of chemical and pharmaceutical R&D, today announced a collaboration with Pearson, the world’s learning company,...