✦ LIBER ✦
Application of artificial intelligence for chemical inference. XXV. A computer program for automated empirical 13C NMR rule formation
✍ Scribed by Tom M. Mitchell; Gretchen M. Schwenzer
- Publisher
- John Wiley and Sons
- Year
- 1978
- Tongue
- English
- Weight
- 689 KB
- Volume
- 11
- Category
- Article
- ISSN
- 0749-1581
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
A computer program which generates empirical rules associating ^13^C NMR shifts with local structural environments is described. The program uses a heuristic method to search for common structural features for those carbon atoms exhibiting similar shifts. Rules have been generated by our program from a combined set of acyclic amine and paraffin data. Examples of these rules are presented, and their performance as a tool for structure elucidation is examined.