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Digitalization is an important aim as organizations seek to improve efficiency through data-driven workflows, reduce the cost of bringing products to market, and accelerate innovation. Digitalization is also the necessary step before data can be leveraged for AI, and even greater productivity. The goal is clear but the road to digitalization and AI-enablement is fraught...

Published by Scientific Computing World Chemical research environments are undergoing a profound transformation as modern laboratories confront rising demands for greater data throughput, more seamless integration of analytical and structural information, and a higher level of preparedness for AI-driven modelling and analysis. However, the complex and heterogeneous nature of analytical data has left it locked...

Major update to Katalyst D2D will provide support for process scale-up and material characterization in pharmaceutical development Toronto, CANADA (October 23, 2025)—ACD/Labs, an informatics company that develops and commercializes software in support of digitalized R&D, today announced a new release of Katalyst D2D®, the industry-leading software for workflow digitalization and data management in chemical and...

Digitalization is transforming research and development across pharma, biopharma, and chemical sciences. From predictive modeling to automated and digitalized workflows, scientists are finding innovative ways to bring together data, tools, and expertise to drive innovation. Join us as we bring together leading researchers and industry experts to explore practical applications of digital tools in real-world...

An unprecedented structure of Herqupenoid A containing a multicyclic, caged 2,7-dioxatetracyclo[5.4.0.04,11.05,9]hendecane fragment with an unprecedented 5/5/6/5-fused ring skeleton (molecular formula C24H34O6) was elucidated with the help of Structure Elucidator, fully automatically in 7 seconds.

Okeke et al. reported the isolation of a novel catechol, Setosol (molecular formula C15H16O5). They acknowledged that this structure was unique amongst natural products, and such a ring system also appeared to be unknown amongst synthetic compounds. Considering the unusual properties of the structure, Bates et al. performed its verification and subsequent structure revision. Structure Elucidator Suite confirmed the structure revision through a comparison of NMR spectra of Setosol with those corresponding to the structure.

In this episode, ACD/Labs Vice President of Innovation and Informatics Strategy, Andrew Anderson, and Strategic Partnerships Director, Graham McGibbon continue their discussion on digitalization and digital transformation in the context of pharmaceutical R&D. They assess how well the industry is adapting to the current digital landscape, and what can be done to contribute to the...

Toronto, CANADA (December 14, 2015)—ACD/Labs, an informatics company that develops and commercializes solutions in support of chemical and pharmaceutical R&D, today announced that Andrew Anderson has joined the company as vice president of business development. Anderson joins ACD/Labs from PepsiCo where he was responsible for technology scouting across a variety of research categories. In this...

Platform provides streamlined ease-of-use solutions for management of integrated chemical and analytical data Chicago, IL, PITTCON Booth #3861 (March 3, 2014)—ACD/Labs, a leading cheminformatics company, announced today to PITTCON 2014 the new release of their ACD/Spectrus Platform that enables organizations to apply chemical context to their spectroscopy, spectrometry, and chromatography content. The ACD/Spectrus Platform makes...

The release of ACD/Labs’ v2018.1 software includes major enhancements to its analytical knowledge management solutions for pharmaceutical development, MS and NMR dereplication workflows, and chromatography offerings. Toronto, Canada (October 24, 2018)—ACD/Labs, an informatics company that develops and commercializes analytical and chemical knowledge management solutions in support of R&D, today announced significant updates across its ACD/Spectrus and...