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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...

At ACD/Labs, we have a unique view of everything happening in the world of chemistry. Our customers include many of the top pharmaceutical, chemical companies in the world, as well as top research institutes and government agencies. That means we are dedicated to understanding the workflows and data flows of scientists from around the world....

The decades-long collaboration will now deliver searchable reference data from the most current versions of NMR predictors and physicochemical property predictors with the addition of predicted ADME and toxicity data. Toronto, CANADA (Dec 7, 2022)—ACD/Labs, an informatics company that develops and commercializes software in support of R&D, today announced a new multi-year collaboration with CAS,...

Regulations regarding chemical software and data can be intimidating. What is software validation? How does that relate to Good Laboratory Practices (GLP) and Good Manufacturing Practices (GMP)? It all begins to sound like legal mumbo jumbo. Luckily, we can help demystify GXP. Dr. Karim Kassam has helped many clients implement ACD/Labs software in regulated environments....

The release expands format agnostic capabilities and provides dedicated tools to help scientists make faster decisions with assembled multi-technique analytical data, and delivers new functionality for NMR spectroscopists and mass spectrometrists. Toronto, CANADA (November 22, 2022)—ACD/Labs, an informatics company that develops and commercializes software in support of R&D, today announced the release of version 2022...