Acta Chimica Sinica ›› 1993, Vol. 51 ›› Issue (11): 1041-1047.     Next Articles

Original Articles

有机化合物的结构-活性/性质相关性研究-三个新的拓扑指数及应用其应用

姚瑜元;许禄;袁秀顺   

  1. 中国科学院长春应用化学研究所
  • 发布日期:1993-11-15

Study on structure-activity/property relationships of organic compounds-three new topological indices and their applications

YAO YUYUAN;XU LU;YUAN XIUSHUN   

  • Published:1993-11-15

In this paper, 3 new topol. indexes have been proposed. for predicting the phys. and chem. properties and biol. activities of organic compounds in relation to their structures. Good results have been obtained. As an example, hypnotic and anticonvulsant activity-structure relationships of barbituric acid derivatives (I, R = alkyl or CR2:CHR3 and R1-3 = alkyl or related grougs) were predicted using the topol. indexes.

Key words: BIOLOGICAL ACTIVITY, ORGANIC COMPOUNDS, PHYSICO-CHEMICAL PROPERTIES

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