Skip To Content

Resources

Sherry Myles
Over 2.5 million users have downloaded ChemSketch Freeware, the academic chemical drawing software from ACD/Labs Toronto, CANADA (April 9, 2024)—ACD/Labs, an informatics company that develops and commercializes software in support of digitalized R&D, today announced that ChemSketch Freeware has been downloaded by over 2.5 million users worldwide. This free version of ChemSketch, intended for academic...

Sherry Myles
As industry leading manufacturers of physical reference materials, MilliporeSigma saw the need for digital solutions in comparative analysis workflows. In response, they’ve taken the first steps to usher in a new era of digital analysis with their online digital reference platform, ChemisTwin™.  Powered by NMR Workbook Suite, this new tool cuts analysis time for QC...

Sherry Myles
Navigating the complexities of laboratories equipped with various instruments and diverse software packages is a common challenge in R&D organizations. Like many others, the team of process chemists in Pfizer’s Pharmaceutical Sciences Small Molecule (PSSM) team faced this challenge. They had a variety of instruments (some over 20 years old) and processed their LC/UV/MS data...

Sherry Myles
In the pursuit of improved compound identification and database search tasks, this study explores heteronuclear single quantum coherence (HSQC) spectra simulation and matching methodologies. HSQC spectra serve as unique molecular fingerprints, enabling a valuable balance of data collection time and information richness. We conducted a comprehensive evaluation of the following four HSQC simulation techniques: ACD/Labs...

Sherry Myles
Drug molecules slowly degrade over time, which can lead to a loss of medicinal potency or increased side effects for patients. Pharmaceutical development scientists must thoroughly assess a medication’s stability using a combination of real-world experiments and mathematical modeling. Unfortunately, most researchers do not have the software they need to support their accelerated stability assessment....

Sherry Myles
In this episode, ACD/Labs Senior Director of Technical and Scientific Services, Karim Kassam joins hosts Jesse and Bally to dive deeper into the importance of ionization. He gives us some insight into the tools available to help accurately predict pKa along with some hints and tips to help improve accuracy in predictions. Read more about...

Sherry Myles
MilliporeSigma are using ACD/Labs’ trusted NMR predictions to make analysis with their industry-leading library of reference materials more efficient and sustainable than ever. In this presentation, Albert Farré-Pérez gives an inside look at this digital transformation resulting in their new online platform ChemisTwin. See it in action and discover how it leverages NMR prediction alongside...

Sherry Myles
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...

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...