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The structure of a new isolate, ominoxanthone, could not be solved from the interpretation of the usual set of 1D/2D NMR data, so a Computer-Assisted Structure Elucidation (CASE) workflow (Structure Elucidator Suite) was used to rank the different possible structure candidates consistent with the scarce spectroscopic data.

ACD/Labs prides itself in offering our users vendor-neutral tools that allow them to use our software with almost any analytical instrument. For us, that means we need to work closely with many partner organizations to ensure we are compatible with the latest data formats. In this episode, we are talking with Graham McGibbon to learn...

Forced degradation is a crucial aspect of pharmaceutical development, which helps to understand the stability of the drug substance and product. These studies often involve teams working across multiple locations and handling vast amounts of data, which can be challenging to manage and share. This can lead to scientists spending more time on data handling...

Quality-by-Design (QbD) is a modern approach to impurity control supported by pharmaceutical industry regulators. Pharmaceutical development groups need support from their informatics infrastructure to implement this strategy. Effective leveraging of QbD in risk mitigation requires an informatics platform that does not rely on data abstraction, simplifies data assembly, and reduces the need for human data...

In this article Richard Lee (Director of Core Technology and Capabilities at ACD/Labs) discusses how organizations need to think so that their analytical data management takes both the lab scientist’s and data scientists needs into consideration. His five tips are: Start simple Consider the needs of your data scientists Start with the future in mind...

There is increasing evidence that links mitochondrial off-target effects with organ toxicities. For this reason, predictive strategies need to be developed to identify mitochondrial dysfunction early in the drug discovery process. In this study, as a major mechanism of mitochondrial toxicity, first, the inhibitory activity of 35 compounds against succinate-cytochrome c reductase (SCR) was investigated. This in vitro study led to...