Automatic Structure Determination of Organic Molecules: Principle and Implementation of the LSD Program

• 来源期刊: 中国化学（英文版）
• 年，卷（期）: 2003,（10）
• 页码范围: 1263-1267
• 页数: 5页
• 语种: 英文

摘要

The LSD (Logic for Structure Determination) program generates organic molecular structures from 1D and 2D NMR data without resorting to chemical shift databases. Its use in the resolution of natural product structure determination problems has been already reported in the literature. This paper describes how data and structures are internally represented and processed by LSD to build solution structures.