October 17 - 19, 2006, 7th Annual European Users' Meeting, Obernai, France

Evaluation of the XNMR Package Within Pharmaceutical Development

Ian Jones

Abstract

Many drug compounds within pharmaceutical development contain fluorine, nitrogen, and phosphorus atoms. The chemical shifts of these nuclei provide useful information for assignment and structural characterization. The X-NMR package is found to give reliable chemical shift predictions when similar compounds are present in the databases. The inclusion of user data increases the reliability of the predictions.

Download the presentation in Adobe Acrobat format (253 Kb PDF file).