Skip To Content

ACD/Labs Blog

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 early 2012 ACD/Labs released ACD/Spectrus Processor, an all-in-one, multi-technique analytical data processing and chemical characterization tool for synthetic chemists. Professor Eugene Kwan of Harvard University reviewed the software and shares his impressions in this article for the Journal of Chemical Information and Modelling. Looking specifically at the NMR capabilities of the software he discusses...

Ryan Sasaki
Above is a picture of an example output of our automated structure verification routine. This highlights one of the strengths of our automated verification approach, one Phil Keyes calls a “fringe benefit” (See slides 39-42) in that following verification, you get an estimated assignment starting point. The output is a report, or spectrum file that...

Sherry Myles
ASDI Deploys ACD/1D NMR Assistant to Synthetic Chemists Based on Previous Success with Automated Structure Verification Software Toronto, Canada (May 27, 2008) —ASDI, Inc., a leader in providing materials management services for the pharmaceutical and biotechnology industries, recently implemented a suite of NMR software tools from ACD/Labs for use by their Synthetic Chemistry Team. The new software is expected...