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ACD/Labs Blog

Joel Michalski
Toronto, CANADA (Nov. 1, 2021)—ACD/Labs, an informatics company that develops and commercializes software in support of R&D, today announced the much-anticipated release of the first commercial browser-based NMR processing software, Spectrus JS. Announced in March 2021, Spectrus JS brings NMR processing tools users know and love from the desktop to the browser. Users can securely process...

Sherry Myles
See the new and improved features included in v2021.1 of ACD/Labs state-of-the-art NMR data processing and interpretation tools. Features highlighted in this webinar include new and expanded metrics for structure verification, tools for handling NMR data of rotamers, tools for measuring and fitting residual dipolar couplings and more.

Joel Michalski
The recent revival of the study of organic natural products as renewable sources of medicinal drugs, cosmetics, dyes, and materials motivated the creation of general purpose structural databases. Dereplication, the efficient identification of already reported compounds, relies on the grouping of structural, taxonomic and spectroscopic databases that focus on a particular taxon (species, genus, family,...

Joel Michalski
Spectrus JS (JavaScript) is the first commercially available browser-based application for processing 1D and 2D NMR data. Being operating system-independent and vendor agnostic, users can process all their NMR data anywhere with internet access. Toronto, CANADA (March 29, 2021)—ACD/Labs, an informatics company with over 26 years of expertise in providing analytical and chemical knowledge management...

Joel Michalski
In the second webinar of our series, we will advance to unknown structure elucidation using computer assisted structure elucidation (CASE). CASE systems have significantly contributed to de novo structural elucidation of thousands of natural and synthesized compounds. Here, we will demonstrate how by using a molecular formula, CASE can find the chemical structure that best...

Joel Michalski
NMR spectroscopy is a powerful tool for structural analysis of solids, especially if it is complemented by computations of NMR observables, such as chemical shifts and quadrupole coupling constants. In paramagnetic solids, chemical shifts can be greatly affected by hyperfine couplings among the unpaired electrons and atomic nuclei. In this study 13C MAS NMR spectra of...