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ACD/Labs Blog

Whether you’re predicting a single spectrum or automating entire analytical workflows, NMR predictions tools can only help if you if the results are informative and trustworthy. In this presentation, Dimitris, Karim, and Jakki discuss how you can maximize confidence in your NMR predictions and applications to extract their full value. Explore the different algorithms and...

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...

Understand the acronyms and abbreviations of the field of NMR. Explore general and experiment-specific acronyms in this essential guide.

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...

Tatiana Didenko of Amgen provides an overview of how Amgen analysts use ACD/Labs software to support high-throughput NMR workflows in compound library generation within Discovery. Tatiana describes the workflow, instrument set up, data management of LC/MS and NMR data, convenient database search parameters for data access, integration with their ELN, and results of an automated...

Sarah’s analytical team at Genentech support medicinal chemists in Discovery and have deployed ACD/Labs technology to manage their LC/MS/MS, 1D NMR, and 2D NMR data. Learn about their analytical data management system and how they’re leveraging data to speed up structure elucidation and verification workflows, reduce experimentation; and make the data available to downstream colleagues...

Conformationally constrained macrocyclic peptidomimetic compounds (millamolecules) offer an attractive venue for the design of orally bioavailable inhibitors of protein-protein interactions. This presentation provides an overview of how BMS uses NMR spectroscopy to shed light on the structure-activity relationship (SAR), characterize the solution structure, select candidates for crystallization, and study the dynamics of millamolecules.

AstraZeneca uses ACD/Labs software to make analytical data accessible as part of their Global Analytical Database. In this presentation, you’ll get an overview of how this database is used by chemists and analysts for data processing, data storage, and knowledge sharing. Two case studies are also shown to highlight how access to centralized data can...