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ACD/Labs Blog

Sherry Myles
The collaboration represents MilliporeSigma’s joint steps toward breakthrough innovation to make research and quality control in the lab more efficient and sustainable. The new ChemisTwin™ platform combines ACD/Labs’ industry-leading NMR predictors with MilliporeSigma’s digital reference materials (dRMs).  Baveno, ITALY (September 18, 2023)—ACD/Labs, an informatics company that develops and commercializes software in support of R&D, today...

Sherry Myles
This release expands structure characterization functionality for scientists, improves analytical data management and assembly across analytical techniques and data formats, and further supports proliferation of data from the Spectrus platform to third party data science applications. Toronto, CANADA (September 12, 2023)—ACD/Labs, an informatics company that develops and commercializes software in support of R&D, today announced...

Sarah Srokosz
Compared to other popular prediction tools, ACD/Labs NMR prediction algorithms provide the most accurate spectral predictions. In this infographic, see how results from each of these tools compare for five natural products and learn more about what’s behind our industry-leading algorithms.

Arvin Moser
Due to their broad peaks and wide range of chemical shifts in 1H NMR spectra, exchangeable protons are known to pose challenges in NMR interpretation, but collecting 2D spectra and selecting proper experimental conditions can sometimes be used in our favor to learn more.

Sherry Myles
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.

Sherry Myles
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...

Sherry Myles
Sanofi partnered with ACD/Labs to develop an automated lab tool combining LC/MS and 1H NMR to help organic chemists efficiently verify their structures. This tool collects, compiles, and evaluates the analytical data and the proposed structure once they are available, and sends the results to the chemist. The pilot project for this system is presented...

Sherry Myles
Novartis employs a variety of ACD/Labs software in support of structure elucidation and structure verification in pharmaceutical development and post-commercialization. Here they present: Their workflow for structure identification and elucidation for impurities and degradants Time-savings from automated structure verification—a system supporting research chemists for several years The importance of integrated, centralized data management in impurity...

Sherry Myles
The Pfizer Structure Elucidation Group (SEG) spans two continents, supporting research and development in the UK and USA. In this presentation John talks about their structure elucidation workflow for assisted data processing and analysis, and centralized data management. John also presents some interesting case studies of puzzled they have solved.

Sherry Myles
The last couple of years have been extremely disruptive. Covid-19 even influenced the world of chemistry – scientists changed the way they worked, and conferences moved online. With conferences and trade shows coming back, now is the perfect time to check-in on the field of NMR. Are things returning to normal, or have we shifted...