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ACD/Labs Blog

ACDLabs
Let me begin by stating my experiences with elucidations on organic molecules. I have led over 60 training sessions attended by chemists and Spectroscopists from Academia to industry around the world. Some more successful than others—this came down to expertise of the attendee. I have also conversed with dozens of chemists/Spectroscopists, experts and non-experts, at...

Ryan Sasaki
Gary Martin has added a comment to an earlier post I wrote on Indirect Covariance and was kind enough to post an updated publication list on this topic. I have simply copy and pasted his comments in this post to provide more exposure to his list: Ryan, it has been a while since you updated...

Ryan Sasaki
What kind of supporting documentation do you prefer to follow when you attempt to learn a new piece of software? The inspiration for my last post on Ease of Use came from a discussion I had with my colleague Arvin Moser. Arvin has spent many years with ACD/Labs as a Technical Support Specialist for ACD/Labs...

Ryan Sasaki
As a software company I believe that we have a responsibility to our users to make our products easy to use. A significant amount of time should be (and is) spent every year evaluating how our software can be more user-friendly. If you browse around the web and look at various software packages, you will...

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
A general theme on this blog over the last couple of weeks has involved sharing presentations that our customers have given on their applications with ACD/Labs NMR software (here, here, and here). Here’s another one for you. Unfortunately, I was not at the Research Triangle Park (RTP) User’s Meeting this year so I didn’t experience...

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
Several months ago, I asked, “How Accurate Should NMR Predictions Be?” Today, I ask how accurate and consistent are actual experimental chemical shifts? In many ways, this post probably should have preceded the one I linked above because in reality, before a discussion about prediction accuracy can begin, the topic of experimental accuracy needs to...

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...