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ACD/Labs Blog

Ryan Sasaki
To follow my post from yesterday, Rich made a very interesting comment that I was hoping to address in today’s post. He suggests that perhaps a NMR Lite would be a good approach. I gave reason as to why we didn’t take that approach and strip away existing features from 1D NMR Processor when developing...

Ryan Sasaki
I had a conversation with Geoff, one of my ACD/Labs colleagues just yesterday. He provided me with a great quote from a person he was talking to about software and usability. He said: "User-Friendly…hrmph…what that means to me is: love it for the first week, hate it forever!" I think that’s a great quote. I...

Ryan Sasaki
In a previous post, I asked the question, why does paper spectra continue to persist in chemistry? Of course there is the next challenge, as Rich Apodaca points out on his Depth-First Blog in an earlier post: The previous article in this series, suggested that the same dynamic applied to the compilation, management, and sharing...

Ryan Sasaki
Back to the chemists with their ELN who continue to resort to their paper spectra. Is it just an old habit? No. I think it is something else. In fact I think there are two major (and completely understandable) reasons why some chemist continue to resist the complete transition to the electronic world: One of...

Ryan Sasaki
This is the topic I will be presenting on at our annual ENC Symposium on March 9, 2008. If you happen to be attending this conference in Asilomar, check out the agenda and register here. I mentioned this before, but I follow the Depth-First Blog authored by Rich Apodaca rather closely and I highly recommend...

Ryan Sasaki
One of the unique features that ACD/Labs software has embraced over the years is something called spectrum-to-structure integration. It’s the idea of not only attaching a chemical structure to a piece of analytical data but to also assign that data to pieces of the chemical structure. This topic gives me a good opportunity to show...

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...

Ryan Sasaki
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...