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ACD/Labs Blog

Last week I attended the annual small molecule NMR conference, SMASH, in Philadelphia, PA. It’s been an exciting year attending NMR meetings as an exhibitor with ACD/Labs and SMASH is my final stop for 2018. From opening with workshops and user meetings to its final symposium, SMASH was a huge success. Let’s take a look back at the most memorable events from last week in pictures.

We’ve been doing a lot of thinking about the value of Computer Assisted Structure Elucidation (CASE) around here lately. There’s a good reason for that: we’ve been doing a lot of work on CASE for the last 18 years, and the work is only accelerating. So it’s worthwhile to reassess every now and then. Much goes into improving software like this to take on ever-more complex tasks, and to do those tasks ever more effectively.

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...

I have returned from SMASH after an enjoyable week in Chamonix. What a truly beautiful place. It was great to be in that atmosphere with many nice people from all over the world. I also must applaud the organizing committee for doing another wonderful job of coordination. I already find myself looking forward to next...