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ACD/Labs Blog

Perfect, of course. But I think we can all realize that it’s not realistic for NMR predictions to be perfect. Chemistry and nature just has too much structural diversity to throw at us. Furthermore, even when the exact structure is in the prediction database, the result may not be perfect. Effects such as solvent, temperature,...

NMRShiftDB is an open source collection of  chemical structures and their associated NMR shift assignments. The database is generated as a result of contributions by the public and currently contains 19,958 structures with 214,136 assigned carbon chemical shifts. Turns out, it is also a GREAT resource for evaluating the accuracy of NMR predictions. Several weeks...

Seth Godin is my favorite author and probably the biggest motivator behind my decision to create a blog about our NMR software.  He just released a new book called, “the dip” (a short but inspirational read). What’s The Dip? The best (and perhaps most relevant) example for this audience Seth gives in his book is...

Of course they are. But I think it is a fair question to pose. The reason I say this is because a while back I was having a conversation with a medicinal chemist in a major pharmaceutical company in the US, and they told me point blank: "I bet that 75% of the chemists in...

Whether we are talking about a synthetic chemist in the chemical industry, a grad student who does a ton of reactions, or a medicinal chemist in a pharmaceutical company, all of these individuals are using NMR to confirm structures. My company sells a lot of NMR processing software to groups of chemists. How do these...

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