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Joel Michalski
Seven’s commitment to quality products and services created a need for a quality assurance system that encompassed all aspects of the manufacturing process. This application note highlights ACD/Labs’ development of a fully automated quality assurance system which interacts with Seven’s existing ERP system to log and track samples, assess quality, and generate reports.

Sherry Myles
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...

Joel Michalski
Predict chemical shifts, coupling constants, and NMR spectra quickly and effortlessly. Directly compare predictions to experimental spectra for more efficient structure verification, and train the database to personalize the chemical space used for predictions.

Joel Michalski
In collaboration with Sequoia Sciences Inc., we developed a strategy for the dereplication of a complete or a partial structure using 1H NMR, 1H–13C HSQC and 1H–1H COSY spectral data, a molecular formula composition range and structural fragments against a massive database of about 22 million compounds is considered. The work was based on 18...

Joel Michalski
Most existing antibiotics were discovered through screens of environmental microbes, particularly the streptomycetes, for the capacity to prevent the growth of pathogenic bacteria. This “activity-guided screening” method has been largely abandoned because it repeatedly rediscovers those compounds that are highly expressed during laboratory culture. Most of these metabolites have already been biochemically characterized. However, the...

Sherry Myles
Influential cancer research organization selects ACD/Labs to unify analytical data processing and chemical characterization Toronto, CANADA (July 22, 2015)— ACD/Labs, a Toronto-based chemistry software company, announced today that the Institute of Cancer Research (ICR) has installed ACD/Spectrus Processor in its research programs to simplify processing and analysis of chromatography, mass spectrometry, and NMR data. At...

Sherry Myles
Strategic agreement streamlines integration within laboratory informatics systems Toronto, Canada & London, United Kingdom (July 8, 2015)—ACD/Labs, a Toronto-based chemistry software company, and IDBS, a leading global provider of advanced software for R&D organizations, today announced a new partnership to deliver an enhanced analytical sciences environment for IDBS Electronic Laboratory Notebook (ELN) users in the...

Joel Michalski
Spiroketals organize small molecule structures into well-defined, three-dimensional configurations that make them good ligands of proteins. We recently discovered a tandem cycloisomerization-dimerization reaction of alkynyl hemiketals that delivered polycyclic, enol-ether-containing spiroketals. Here we describe rearrangements of those compounds, triggered by epoxidation of their enol ethers that completely remodel their structures, essentially turning them “inside out”....

Sherry Myles
A New Resource for Structure Elucidation Education Toronto, Canada (June 3, 2015)—In conjunction with the publication of “Computer-Based Structure Elucidation from Spectral Data”, a new book written by Mikhail Elyashberg and Antony Williams and published by Springer, ACD/Labs has released a new Structure Elucidation Tutorial software package, free for educational use. Intended as a companion...