Quantitative structure-property relationship research of main group compounds

被引:1
|
作者
Lei Kelin [1 ]
Wang Zhendong
机构
[1] Xiangfan Univ, Dept Chem, Xiangfan 441053, Peoples R China
[2] Wuhan Univ Sci & Engn, Wuhan 430074, Peoples R China
关键词
vertex connectivity topological index; distance; main group compounds; QSPR;
D O I
暂无
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
New approaches were applied to improve the molecular connectivity indices X-m(v). The vertex valence is redefined and it was reasonable for hydrogen atom. The distances between vertices were used to propose novel connectivity topological indexes. The vertices and the distances in a molecular graph were taken into account in this definition. The linear regression was used to develop. the structural property models. The results indicate that the novel connectivity topological indexes are useful model parameters for Quantitative Structure-Property Relationship (QSPR) analysis.
引用
收藏
页码:172 / 173
页数:2
相关论文
共 50 条
  • [1] Quantitative structure-property relationship research of main group compounds
    Lei K.
    Wang Z.
    J Wuhan Univ Technol Mater Sci Ed, 2006, 3 (172-173): : 172 - 173
  • [2] Quantitative structure-property relationship of distribution coefficients of organic compounds
    Liu, Y.
    Yu, X.
    Chen, J.
    SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 2020, 31 (08) : 585 - 596
  • [3] Quantitative structure-property relationship research to the analysis of photoionization sensitivity of organic compounds in gas chromatography
    Guo, M
    Chen, QD
    Liu, WJ
    Xu, L
    CHINESE JOURNAL OF ANALYTICAL CHEMISTRY, 2000, 28 (01) : 6 - 11
  • [4] A quantitative structure-property relationship for determination of enthalpy of fusion of pure compounds
    Gharagheizi, Farhad
    Gohar, Mohammad Reza Samiee
    Vayeghan, Mahsa Ghotbi
    JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 2012, 109 (01) : 501 - 506
  • [5] Prediction of liquid viscosity for organic compounds by a quantitative structure-property relationship
    Katritzky, AR
    Chen, K
    Wang, YL
    Karelson, M
    Lucic, B
    Trinajstic, N
    Suzuki, T
    Schüürmann, G
    JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2000, 13 (01) : 80 - 86
  • [6] Multivariate characterisation and quantitative structure-property relationship modelling of nitroaromatic compounds
    Jonsson, S.
    Eriksson, L. A.
    van Bavel, B.
    ANALYTICA CHIMICA ACTA, 2008, 621 (02) : 155 - 162
  • [7] Quantitative structure-property relationship of glass transition temperatures for organic compounds
    Yu, Xinliang
    MOLECULAR PHYSICS, 2024,
  • [8] General quantitative structure-property relationship treatment of the refractive index of organic compounds
    Katritzky, AR
    Sild, S
    Karelson, M
    JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1998, 38 (05): : 840 - 844
  • [9] Prediction of aqueous solubility of organic compounds using a quantitative structure-property relationship
    Chen, XQ
    Cho, SJ
    Li, Y
    Venkatesh, S
    JOURNAL OF PHARMACEUTICAL SCIENCES, 2002, 91 (08) : 1838 - 1852
  • [10] Estimation of surface tension of organic compounds using quantitative structure-property relationship
    戴益民
    刘又年
    李浔
    曹忠
    朱志平
    杨道武
    Journal of Central South University, 2012, 19 (01) : 93 - 100