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Version 2023 of the Classic pKa calculator in Percepta® includes a significantly expanded training set for improved prediction accuracy, broader chemical applicability, and algorithmic changes that deliver impressive speed enhancements to this industry-leading software. San Francisco, US (August 14, 2023)—26 years after the release of their first ionization predictor, ACD/Labs, an informatics company that develops...

Using the traditional method of structure elucidation based on analysis of HSQC, HMBC and COSY data, the authors deduced a large part of the molecular structure, but the lack of carbons bearing hydrogen atoms prevented them to assemble the full structure. To alleviate this problem, ACD/Structure Elucidator was utilized in Trichopsistide A, molecular formula C23H29NO5.

Toronto, CA (November 25, 2008)—Sanofi-Aventis, one of the world’s leading pharmaceutical companies, recently agreed to a three-year contract to extend the use of Advanced Chemistry Development, Inc., (ACD/Labs) software throughout its R&D sites worldwide. The agreement includes provisions for continuing support, and a special pricing structure beneficial to both companies. Sanofi-Aventis uses a range of...

Toronto, CANADA (Mar. 18, 2022)—ACD/Labs, an informatics company that develops and commercializes software in support of R&D, today announced that Pharmaron Inc. has chosen to equip their scientists with ACD/Labs’ industry leading NMR processing and interpretation software. Among the applications adopted by Pharmaron is ACD/Structure Elucidator Suite, bringing computer assisted structure elucidation into their analytical...

In 2019 Pfizer set out to create a knowledgebase of analytical data to empower their scientists with easily accessible data, timely responses to regulatory inquiries, and to improve the flow of information across R&D. Read about their continuing data digitalization journey.

Having digitized (from paper to glass) through the late 1990s and early 2010s, the R&D community is now navigating the early adoption of digitalization and digitally enhanced workflows. This report addresses the state of the laboratory digitalization process in 2026. While many organizations have digitized their data, obstacles to effective use of this information remain in...

Latest Spectrus applications offer deeper integrations, improvement to low code/no code automation, expansion of data import/export, and enhanced analytical data processing and interpretation. Percepta delivers improved prediction accuracy for several models. Toronto, CANADA (November 19, 2025)—ACD/Labs, an informatics company that develops and commercializes software in support of digitalized R&D, today announced the widespread release of...