Tony at the ChemSpider Blog points us to two gems.
A peek at an 15N NMR prediction validation study that was conducted during the writing of a book chapter to be published by Gary Martin in the book entitled Modern Alkaloids.
Suffice to say, the performance was excellent. A plot of observed vs. calculated 15N chemical shifts for forty-nine 15N chemical shifts from the review article is shown below. These chemical shifts and associated compounds are not contained within the training set.
Regression analysis delivered: R2 = 0.987. Further details of the analysis will of course be in the book (I don’t get any royalties honestly!).
The other gem is a link to Gary Martin’s incredible website that features many, many incredible pictures of lighthouses and scenery around the world. Be sure to check it out here.