摘要
本线型表示法以官能团为基本单元，根据ＩＵＰＡＣ有机化学命名原则及专家系统对表示法的要求，制定了比较简单的定序法则。本方法已应用于我所的专家系统ＥＳＣＳ中。
A linear notation for chemical structure is presented in this paper. The functional groups are taken as the basic units in this linear notation. A simple order rule is designed to fit the requirements of expert system, which is according to the IUPAC naming principle for organic chemicals. This linear notation is applied in an expert system for computer-aided chemical synthesis.
出处
《计算机与应用化学》
CAS
CSCD
1995年第1期25-28,共4页
Computers and Applied Chemistry
