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ACDLabs
CASE (computer‐assisted structure elucidation) first appeared in the late 1960s but really gained traction in the 1990s as more information‐rich 2D NMR experiments were developed. In this article, we discuss the strategies of CASE for small organic molecules in solution. Cognitive grounds and the principal CASE flow‐diagram, as well as the main obstacles impeding structure...

ACDLabs
This guide to informatics and data integrity published by the European Pharmaceutical Review highlights ACD/Labs software solutions including our Spectrus and Percepta platforms, and new solutions Luminata and Katalysts D2D.

Sherry Myles
pKa (the acid dissociation constant) describes the inherent property of a compound or ionizable functional group to lose H+ and generate hydronium ions (H3O+). pH measures the concentration of hydronium ions (H3O+) in aqueous solution. Read more about pKa.

Sherry Myles
New web-based technology facilitates ease of deployment and support for IT while continuing to deliver ACD/Labs’ industry leading physicochemical, ADME, and toxicity calculators to scientists Toronto, Canada (May 8, 2019)—ACD/Labs, an informatics company that is celebrating 25 years of providing chemical and analytical knowledge management solutions for R&D, announced the launch of a web-based application—Percepta...

ACDLabs
Software zum Vorhersagen von NMR-Spektren ist von essenzieller Bedeutung für viele Arbeitsabläufe in der chemischen und pharmazeutischen Analytik. Routine-Analysen, welche auf genau vorhergesagten NMR-Spektren beruhen, wie Strukturverifizierung und Strukturaufklärung, können durch zweifelhafte Vorhersagen von NMR-Spektren beeinträchtigt sein. Die Algorithmen von ACD/Labs zur Vorhersage von NMR-Spektren werden daher seit 25 Jahren kontinuierlich weiterentwickelt und verbessert um...