In this issue:
Do you Struggle with Poor Solubility or Other Property-Related Issues?
After exhausting the usual suspects of substituent modification, and soliciting opinions from colleagues, are you forced to abandon that candidate or series?
ACD/Labs' new generation of structure optimization software allows synthetic chemists to explore novel chemical space, and generate new ideas for lead optimization, based on PhysChem, ADME and toxicological requirements. Using the chemist's knowledge of the project objectives, the software can accelerate the process of drug discovery by focusing synthetic efforts on compounds likely to be viable drug candidates.
This user-friendly application is powered by ACD/Labs' property prediction algorithms—providing fast and accurate predictions to computational chemists and scientists in Pharma/Biotech for over a decade.
Download our Application Note
Spectrus Processor independently reviewed by Harvard Professor Eugene Kwan
In 2011 ACD/Labs released ACD/Spectrus Processor. This all-in-one, multi-technique analytical data processing and chemical characterization tool helps those that routinely work with analytical data. Professor Eugene Kwan of Harvard University reviewed the software and shared his impressions in an article for the Journal of Chemical Information and Modelling.
"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."
Eugene E. Kwan, Harvard University; J. Chem. Inf. Model., web June 2012.
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.
This story is a relatively high-profile example of something that can occur in almost any laboratory. It resonated with ACD/Labs because one of our key goals has been to streamline and improve the accuracy of structure assignments.
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.
Upcoming Seminars and Events
Conference and tradeshow season is upon us once again, and we look forward to meeting you at the many events ACD/Labs will be taking part in over the next few months.
Read our poster "Translating the Favorable ADME Profile of a Lead Compound into Virtual Analogs in Restricted Physicochemical Space"
Come and speak with us at Booth 1009 about ACD/Labs' new and improved structure optimization solution.
See our full list of Events for 2012
For more information about any of these stories contact us at
info@acdlabs.com or visit our website at
www.acdlabs.com
