光学分子光谱专家系统

EXPERT SYSTEMS: WHAT WE HAVE TAUGHT THEM AND WHAT THEY HAVE TAUGHT US

对于多原子分子聚合物的红外光谱和核磁共振谱,讨论了为鉴定和研究其结构所设计的一般的专家系统的理论基础。评论了旨在设计“光谱-结构”专家系统的活动,并举例说明适用于PC AT系统的最新方法的操作。介绍了由实现专家系统及实际诊断和分析复杂化合物的结构有关问题而产生的经验。着重分析了结论填充数据库时不可避免的是固有的和由建立和解反向光谱问题的关键特性引起的主观性,从而可以得出结论设计任何全自动的专家系统在原理上是不可行的。

The theoretical fundamentals and the structure of the general-purpose expert systems (ES) designed for identifying and studying the structure of poly-atomic molecules and polymers on the basis of their aimed at designing the 'Spectrum-Structure' ES are reviewed and the operations of the latest version of the system adapted to suit PC AT are exemplified. The lessons which have ensued from realizing the ES and from actual solving the problems relevant to diagnozing and analyzing the structure of complex compounds are analyzed. The subjectiveness which is unavoidably inherent to filling the data bank and arises from the key features of formulating and solving the inverse spectral problems is emphasized, whence it follows that designing any completely-automated ES is unfeasible in principle.