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Welcome to the latest newsletter from ACD/Labs. In this edition you’ll find the most recent updates to our software and our featured publications. Contents:
GEN Magazine discusses Interactive Biotransformation Maps
The article makes the case for building a "biotransformation ELN" that allows the interpretation and storage of analytical data, for easy access across an organization and comprehensive knowledge management into the future. "Overall, ACD/Labs' biotransformation ELN enables the finding and reporting of new knowledge more quickly and with greater depth; increasing the efficiency of metabolism studies. Unique ways of linking analytical, chemical, and structure information leads to improved project management, increases the confidence in structural elucidations, enables the incorporation of related predicted safety data, and facilitates the preparation of discovery reports and IND applications." Spectrus Processor independently reviewed by Harvard Professor Eugene Kwan Recently 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 the ease of multiplet analysis (integration and determination of coupling constants), automatic generation of multiplet reports, and the capability for working with series of spectra and using ACD/NMR predictors in teaching. "The bottom line is that if you want to spend more time thinking about chemistry and less time wrestling with your NMR software, this is the way to go." View an article preview on the ACS Publications web site (complete article available with a subscription) Structure verification is easier than ever with Spectrus Processor ACD/Spectrus Processor, our newest analytical data processing tool, already features one-click structure verification, automatically evaluating the correspondence between experimental and predicted NMR spectra within the software interface. Now you can combine the power of our leading NMR Predictors with Spectrus Processor for even more insight into your experimental data. With the version 2012 NMR Predictors, complete 1D and 2D NMR spectra are generated and displayed within the Spectrus Processor interface. Easily compare suggested assignments for peaks and quickly resolve problems.
Learn more about structure verification with Spectrus Processor. How to avoid the "Bad Bosutinib" saga in YOUR lab On May 11, 2012 an article was published in Chemical Engineering News entitled, "Bosutinib Buyer Beware" by Senior Editor Bethany Halford. This story revealed that several research efforts around the world may be invalidated due to bad lots of a compound sold as Bosutinib. At last count, up to 18 vendors have unknowingly sold an incorrect Bosutinib isomer to one or more customers in the biochemical reagent marketplace.
Read about how our Automated Structure Verification system could have helped catch this problem earlier, and how ACD/Structure Elucidator could help avoid the issue.
Don’t miss this opportunity to learn about our latest software releases and implementations in the hands of our customers. Register today! Other upcoming events:
For more information on any of these stories, please email info@acdlabs.com or visit us at www.acdlabs.com.
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Recently GEN Magazine published an article discussing the advantages of interactive biotransformation maps in the pharmaceutical discovery and development workflow. How best to secure and share knowledge gained from metabolite projects is a question faced by all organizations considering the disconnected nature of data acquisition and project efforts across multiple teams.
This story is a relatively high-profile example of something that can occur in nearly any laboratory, and resonated with ACD/Labs because one of our key goals has been to both streamline and improve the accuracy of structure assignments.
ACD/Labs is hosting a free NMR Software Symposium at the 2012 SMASH meeting on September 9th. This session will feature presentations from both our technical specialists and our software users. The topics include: