简要地介绍了1987年诺贝尔化学奖得主、法国化学家莱恩(Lehn)在定义超分子化学时所提出的化学信息论的概念 ,在审视有关化学信息论的近期发展中的一些问题的基础上 ,对Lehn提出的分子识别、化学反应智能化和化学信息论以及施耐德(Schneider)在1994年提出的分子机器理论进行了分析和思辨 ,并对这个领域的近期理论工作 ,提出了建议. This article briefly introduced the concept of chemical information theory proposed by French chemist Lehn in 1987 when defining the chemistry of supramolecular chemistry. On the basis of reviewing some problems in the recent development of chemical information theory, Lehn proposed molecular identification, chemical reaction intelligence and chemical information theory and Schneider molecular machine theory proposed in 1994 for analysis and speculation, and the field of recent theoretical work, made recommendations.