药物气相色谱分析衍生化方法推荐专家系统的设计与实现

Design and Implementation of Expert System for Derivatization Method Recommendation of Gas Chromatography Used in Pharmaceutical Analysis

介绍了药物气相色谱分析衍生化方法推荐专家系统。该系统可对分子量小于 5 0 0 ,且分子中含有- COOH、- COO-、- OH、- O-、- N H2 (包括 R- NH2 、- CONH2 、- SO2 NH2 )、 NH (包括 R1 NHR2 、- CON HR、-CONHSO2 -、- SO2 NHR、R1 NHCONH R2 )、 N-、R4N(+)、 C=、- CHO、- SH、- SO3H、- SO3- 等官能团的药物实现衍生化方法推荐 ;并能自动调用柱系统推荐子系统 ,推荐适合于衍生物的柱系统。作者以 Turbo Prolog为程序设计语言 ,采用产生式规则和谓词逻辑的知识表达方式以及深度优先搜索的正向链推理控制策略 ,在

An expert system for derivatization method recommendation of gas chromatography used in pharmaceutical analysis is introduced. If a drug with molecular weight below 500 contains one or a few of functional groups which are COOH、 COO\+-、 OH、 O\+-、 NH 2(including R NH 2、 CONH 2、 SO 2NH 2)、\{NH\}\{\}\{\} (include R 1NHR 2、 CONHR、 CONHSO 2 、 SO 2NHR、R 1NHCONHR 2)、\{N \}\{\}\{\}、R\-4N\++、\{C\}[ZJZS;ZX;Y,0]\{\}\{\}\{=O、\} CHO、 SH、 SO 3H、 SO 3\+- etc., the expert system is able to recommend the derivatization method(s) according to the name or functional group(s) of the drug . In addition, the column system suited to the derivative(s) can be given by automatically switching on the subsystem for column system recommendation. Production rule and predicate logic are used to represent knowledge and forward chaining method is applied to give inference. The expert system is implemented by using AI language Turbo Prolog and operated on IBM PC.