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Sherry Myles
ACD/Labs Percepta pKa predictions have been the industry standard for 25 years. The algorithm is continually improved. In this presentation, Kiril Lanevskij discusses collaborations with pharma and chemical companies that have helped enhance the algorithm. In particular, he shares the inclusion of data in the v2023 release which incorporated 3500 molecules, expanding the training set...

Sherry Myles
The prevalence of ionizable compounds in pharmaceuticals makes pKa an important physicochemical property to consider in drug discovery and development. In this presentation, Andrew Anderson highlights the need for accurate predictive models, particularly with the ever-increasing interest in incorporating generative AI models in pharmaceutical R&D and digital twin simulation of physical entities. Walk through the...

Sherry Myles
Cloud-enabled Spectrus Manager JS—the next application in the Spectrus JS family—will help R&D organizations enable analytical data access to all scientists. Multi-technique, vendor agnostic data, uniformly assembled with chemical context, is now broadly accessible to scientists for decision-support and suitable for machine access (AI/ML applications). San Diego, CA (February 26, 2024)—ACD/Labs, an informatics company that...

Sherry Myles
MilliporeSigma’s new online digital reference platform, Chemistwin® is a trail blazing digital tool to accelerate workflows in the analytical laboratory. In this episode, ChemisTwin® Project Lead Coralie Leonard and R&D Scientist Albert Farre Perez join hosts Sarah and Bally to dive deeper into the driving factors of MilliporeSigma’s reference material business transformation process. They also give...

Sherry Myles
Rebroadcast of an episode from season 2 on the use of AI in chemistry. Happy holidays! Computational chemistry tools are becoming more powerful every day. Machine learning, artificial intelligence, big data… what does it all mean and how does it apply to the chemistry lab? Season 2 of the Analytical Wavelength explores how predictive technology...

Sherry Myles
As the complexity and variety of medical devices have increased, so has the demand for advanced and specialized testing to safeguard patients. Key areas of concern include contaminant toxicity and drug efficacy. E&L studies require careful design and depend on the class of the device, use of the device, and contact time. E&L analysis is...

Sherry Myles
This Technical Note will briefly explain how to install ACD/Labs desktop software on a Mac computer using a virtual machine (VM). ACD/Labs does not test its software on Mac computers, but many customers are able to run our software using Windows VMs.

Sherry Myles
Efficiency in R&D helps us be more productive, optimize, and innovate. Our recent virtual symposium “Driving Efficiency with Spectrus” brought together scientists from industry-leading organizations (like GSK, AstraZeneca, Genentech, and more) to share strategies that they have implemented, to: Accelerate structure elucidation and verification by NMR and LC/MS Make method development efficient, robust, and sustainable...

Sherry Myles
To support ongoing digital transformation in life sciences and chemistry-driven organizations, ACD/Labs has introduced Spectrus Conduit—the first out-of-the-box, low-code/no-code application that connects, designs, and manages automated dataflows from analytical instruments and other data sources. Spectrus Conduit creates standardized, harmonized digital twins of the R&D laboratory, improves collaboration, and supports downstream AI/ML applications. ACD/Labs also announced...