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Sherry Myles
The collaboration represents MilliporeSigma’s joint steps toward breakthrough innovation to make research and quality control in the lab more efficient and sustainable. The new ChemisTwin™ platform combines ACD/Labs’ industry-leading NMR predictors with Millipore Sigma’s digital reference materials (dRMs).  Baveno, ITALY (September 18, 2023)—ACD/Labs, an informatics company that develops and commercializes software in support of R&D,...

Sherry Myles
This release expands structure characterization functionality for scientists, improves analytical data management and assembly across analytical techniques and data formats, and further supports proliferation of data from the Spectrus platform to third party data science applications. Toronto, CANADA (September 12, 2023)—ACD/Labs, an informatics company that develops and commercializes software in support of R&D, today announced...

Sherry Myles
Richard Lee discusses the different end users of analytical data (laboratory scientists and data scientists) and practical steps to digitalization that can help support both types of data consumer.

Sherry Myles
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...

Sherry Myles
Development of pharmaceutical drugs encompasses the use of multiple data sources such as chemical structures, analytical data, meta data, and process parameters. The data types are often siloed in electronic lab notebooks (ELN), laboratory information management systems (LIMS), chromatography data systems (CDS), in-house databases, etc. Development teams often use Excel spreadsheets to summarize all this...

Sherry Myles
Andrew Anderson provides an overview of how lab-based organizations prepare data sources and ensure that existing data sets are normalized, curated, and machine-readable so that they can be used for AI/ML projects in the future

Sarah Srokosz
Compared to other popular prediction tools, ACD/Labs NMR prediction algorithms provide the most accurate spectral predictions. In this infographic, see how results from each of these tools compare for five natural products and learn more about what’s behind our industry-leading algorithms.

Joel Michalski
Do you need to draw chemical structures for your school, research, or work? ChemSketch has all the tools you need! Learn how to use ChemSketch with this introduction and tutorial. Learn how to draw carbon chains, add heteroatoms, rearrange structures, generate IUPAC names, and more. Learn more about ChemSketch, or download a free trial.

Sherry Myles
The growing complexity of chemical substances and corresponding advances in chemical nomenclature makes it practically impossible and potentially unsafe to rely on humans to create chemical names. Algorithmic name generation by computer programs long ago excelled human expertise in accuracy, productivity, and reliability of results. ACD/Name generates systematic names for diverse classes of chemical substances...