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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...

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...

This session highlighted What’s New in Version 2023 of our MS desktop software. Catch up on new features and improvements in quantitation, mass spectral, search, ease of use, and more. Topics include: New features of the quantitation workflow—including background subtraction, support for non-linear fits, many ease-of-use improvements, and more Peak deconvolution of xC/UV/MS data Improvements...

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...

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...

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...

What’s New in NMR Watch this session on what’s new in our desktop NMR software. Catch up on major updates from the last few years and get a closer look at version 2023. Topics include: Improving accuracy of internal and external standard qNMR Elucidating 3D structures from Residual Dipolar Couplings (RDCs) Performing automated structure verification...

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...

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...

What’s New in Luminata This session on what’s new in Luminata version 2023 included topics on: Using the “Resolve Peaks” function to save time when processing chromatograms with the same impurities Performing purge factor calculations in the software How to reduce the time necessary to prepare control strategy summaries