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ACD/Labs Blog

Bara Townsend
The organizations have combined their expertise in chemical synthesis, physicochemical property prediction, and software development to deliver a tool that will transform solvent selection in chemical research through artificial intelligence (AI). Basel, SWITZERLAND (October 13, 2025)—ACD/Labs, an informatics company that develops and commercializes software in support of R&D, and Covestro, a global leader in high-performance...

Sarah Srokosz
Coupling in proton NMR coupling contains information vital to elucidating chemical structures. Discover how recognizing multiplicity, coupling constants, and higher-order effects enables chemists to deduce structures quickly.

Bara Townsend
Predicting pKa isn’t just computational, it’s about understanding chemical behavior. Learn about the science behind pKa, how different pKa predictors work, and how ACD/Labs’ tools help chemists and regulators anticipate molecular behavior before synthesis or testing begins.

Sarah Srokosz
Explore how ASV transforms structure verification into a scalable, consistent and reliable process. This article was originally published on Technology Networks Structure verification in R&D Chemical structure verification is a tedious but critical task in the drug discovery and development pipeline. Despite the advances in automation, AI and high-throughput screening that have revolutionized many other...

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...