« The Purgatory Database | Main | Where is the Quality? Assumptions vs. Assurance »

June 29, 2007

N15 NMR Prediction Validation and Lighthouses

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.

Posted at 05:39 PM in NMR Prediction, X-Nuclei |

TrackBack

TrackBack URL for this entry:
http://www.typepad.com/services/trackback/6a00d834fe3a5753ef00e0098a2e018833

Listed below are links to weblogs that reference N15 NMR Prediction Validation and Lighthouses:

Comments

Feed You can follow this conversation by subscribing to the comment feed for this post.

Verify your Comment

Previewing your Comment

Posted by:  | 

This is only a preview. Your comment has not yet been posted.

Working...
Your comment could not be posted. Error type:
Your comment has been posted. Post another comment

The letters and numbers you entered did not match the image. Please try again.

As a final step before posting your comment, enter the letters and numbers you see in the image below. This prevents automated programs from posting comments.

Having trouble reading this image? View an alternate.

Working...

Post a comment