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ACD/Labs Blog

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...

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...

In yesterday's post I pointed you to an article that has become the most accessed article of all time in the Journal of Cheminformatics, co-authored by representatives of ACD/Labs. This article is a very comprehensive outline of the different approaches, developments, and successes of the development of CASE (Computer-Assisted Structure Elucidation) systems . I hope...

An article co-authored by several ACD/Labs scientists, the Russian Academy of Scientists, and ChemZoo, Inc. has been generating a lot of interest over the past year. In fact, this article entitled, "Computer-assisted methods for molecular structure elucidation: realizing a spectroscopist's dream" is the most accessed article of all time, on the Journal of Cheminformatics website....

If you are attending SMASH in Chamonix next month please make sure to drop by and see my colleagues and I. We'll be happy to show you what is new in the software, and what we are thinking about moving forward. In addition, on Sunday, Sept. 20th at noon, we will be holding our annual...

Speaking of the CASE review article in Progress in NMR, I thought I would take the opportunity to mention the upcoming session on Computer Aided Structure Identification that will take place at the SMASH 2008 Conference in Santa Fe New Mexico in September. One of the presenters in the session will be none other than...

In fact, to borrow a phrase from a colleague, this might be the defacto article on Computer Assisted Structure Elucidation (CASE) for the next decade! This article written by Mikhail Elyashberg, Antony Williams, and Gary Martin spans across two issues of the review journal, Progress in Nuclear Magnetic Resonance Spectroscopy.  This article entitled, entitled, "Computer-Assisted...