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ACD/Labs Blog

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
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...

Sherry Myles
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...

Sherry Myles
Hear how Katalyst D2D software has enabled GSK to streamline HTE design and execution and more efficiently capture high-quality data from these experiments. A case study walks through how the software supports their entire HTE workflow in a single easy-to-use interface, allowing automatic data transfer and processing. Kayleigh also touches on GSK’s intended application of...

Sanji Bhal
Why pKa Values are Relevant to Scientists in Pharma/BioTech Many of the small molecules under investigation in pharmaceutical and biopharmaceutical labs are susceptible to ionization. While the composition of positively charged molecules (cations), negatively charged molecules (anions), and molecules with groups that are both positively and negatively charged (zwitterions) differs by therapeutic area and drug...

Sherry Myles
While pharmaceutical companies are working to implement machine learning and AI, integrating these technologies into process chemistry has been a challenge. In this presentation, Thorsten Gressling explains how Bayer’s data architecture supports its digital chemistry initiatives in process development. Topics covered include: Bringing together data from many systems, including ELNs and laboratory reactors Luminata’s visualization...

Sherry Myles
ACD/Labs will combine their expertise in chemical information management with the knowledge and expertise of ELSIE consortium members to create a searchable knowledge repository of pre‑competitive data. Philadelphia, USA (March 20, 2023)—ACD/Labs, an informatics company that develops and commercializes software in support of R&D, today announced a collaboration with the Extractables and Leachables Safety Information...

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.