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ACD/Labs Blog

I was flying home from Europe yesterday and was watching the Oscar award-winning movie "Good Will Hunting" starring Matt Damon, Robin Williams, Ben Affleck, and Minnie Driver: One thing I missed the first time I saw the movie, was a moment where Matt Damon's character shows up at Minnie Driver's dorm room to ask her...

PKC Pharmaceuticals is working very hard to try and not only remedy the issues that have come out of the Bosutinib issue described in previous posts and in other media outlets, but to also really understand what went wrong, what is out there, and how to clear the air on this issue. I believe they...

I've already described the Bosutinib fiasco in my last entry, and finished with a teaser that we would be back for more commentary on this topic.  We plan a series of tests of our algorithms and systems to see if our software could have been used to prevent a situation like this. The main question...

For many years I have been looking for a high profile public case that represents a good example of why an automated NMR structure verification system can help prevent bad things from happening. We all know these types of examples exist, but they don't generally become public knowledge.  Yes, I've blogged about this topic many...

It's been a very long time since my last post. I apologize for that, but I can assure that my posting absence has not been due to lack of quality things to talk about. Hopefully this post will help me get over the activation barrier of ignorning the blog for months! My motivation for coming...

Reality #1: LC/MS has become the primary analytical check for the medicinal chemist. I Love NMR, but it's the reality So how did we get here? Clearly there a lot of reasons, but one of my hypotheses is based on the evolution of open access and the walk-up environment. No doubt that moving away from...

Reality #1: LC/MS has become the primary analytical check for the medicinal chemist. I Love NMR, but it's the reality Reality #2:  More often than not, NMR spectra are merely glanced at: Sometimes interpretation is based on the presence or absence of one peak (did my reaction go to completion?) How often are NMR spectra...

When I created this blog several years ago, one of the first links I added to my blog was to Stan's NMR Blog. Over the years I have had the pleasure to meet Stan who is a wonderful individual. His blog is very interesting, Stan is incredibly knowledgeable, and I really enjoy his writing style. ...

I have blogged about Mikhail Elyashberg before and I wanted to take the opportunity to extend birthday wishes to him.  A tribute to Mikhail and his outstanding contributions in the area of Computer-Assisted Structure Elucidation (CASE) is published on the ACD/Labs website here.  At the age of 75 Mikhail is still working had in this area...

Recently I finished a great book that made me think about different things on a lot of different levels. The book is called The Black Swan and the author is Nassim Nicholas Taleb.  In short, a black swan is defined as an event, positive or negative, that is deemed improbable yet causes massive consequences.  From...