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ACD/Labs Blog

Ryan Sasaki
Great post from Derek Lowe from In the Pipeline the other day talking about the dangers of not quality checking those fine-looking starting compounds for your project. Chemistry happens and yes, mistakes do too. In fact, it appears that Derek has been on a kick as of late referring to personal QC. I Can Has...

Ryan Sasaki
I’ve blogged several times about the progress and applications of automated structure verification with the help of ACD/Labs software. There are really two main approaches right now: Combined verification which includes automatically verifying the correspondence between a proposed chemical structure and the 1D 1H and 2D HSQC spectra. I’ve blogged about the publications and applications...

Ryan Sasaki
Last week I blogged about Phil Keyes’ and Anthony Macherone’s applications of NMR software towards automated structure confirmation. A few months back, I pointed you to Steve Coombes’ workflow when working with ACD/Structure Elucidator. Phil had a very nice section in his presentation about the “fringe benefits” he was able to derive outside of the...

Ryan Sasaki
Yesterday I blogged about how Phil Keyes has applied automated structure verification at Lexicon Pharmaceuticals to help validate compound registrations in an open access environment. Links to the latest performance statistics of our automated structure verification solution for both 1D 1H and combined 1D 1H and 2D HSQC structure verification can be found in the...

Ryan Sasaki
Several posts back I pointed you to a couple of articles ACD/Labs were involved in with regards to automated structure verification. I have pointed to these articles, but I have spent little time talking about it. I will now. For those new to this idea, it involves using software to automatically confirm the consistency between...