Quantum-chemical descriptors in QSAR/QSPR studies

被引:0
|
作者
Department of Chemistry, University of Tartu, 2 Jakobi Str., Tartu, EE 2400, Estonia [1 ]
不详 [2 ]
机构
来源
Chem. Rev. | / 3卷 / 1027-1043期
关键词
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [41] QUANTUM-CHEMICAL STUDIES OF PYROPHOSPHATE HYDROLYSIS
    COLVIN, ME
    EVLETH, E
    AKACEM, Y
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (15) : 4357 - 4362
  • [42] Quantum-Chemical Studies on TATB Processes
    Patil, R. S.
    Radhakrishnan, S.
    Jadhav, P. M.
    Ghule, V. D.
    Soman, T.
    JOURNAL OF ENERGETIC MATERIALS, 2010, 28 (02) : 98 - 113
  • [43] QSAR analysis of salicylamide isosteres with the use of quantum chemical molecular descriptors
    Dolezal, R.
    Van Damme, S.
    Bultinck, P.
    Waisser, K.
    EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2009, 44 (02) : 869 - 876
  • [44] The Studies of QSPR/QSAR for Ionic Liquids
    Zheng Yansheng
    Mo Qian
    Liu Zhaoming
    PROGRESS IN CHEMISTRY, 2009, 21 (09) : 1772 - 1781
  • [45] A Lu index for QSAR/QSPR studies
    Lu, CH
    Guo, WM
    Hu, XF
    Wang, Y
    Yin, CS
    CHEMICAL PHYSICS LETTERS, 2006, 417 (1-3) : 11 - 15
  • [46] The inverse problem in QSAR/QSPR-studies for the case of a correlation equation containing arbitrary topological descriptors
    Skvortsova, MI
    Baskin, II
    Slovokhotova, OL
    Palyulin, VA
    Zefirov, NS
    DOKLADY AKADEMII NAUK, 1996, 346 (04) : 497 - 500
  • [47] Quantum-chemical descriptors for estimating hemolytic activity of aliphatic and aromatic methacrylates
    Ishihara, Mariko
    Fujisawa, Seiichiro
    CHEMOSPHERE, 2008, 70 (10) : 1898 - 1902
  • [48] Molecular Descriptors, Structure Generation, and Inverse QSAR/QSPR Based on SELFIES
    Kaneko, Hiromasa
    ACS OMEGA, 2023, 8 (24): : 21781 - 21786
  • [49] Molecular connectivity indices of iterated line graphs. A new source of descriptors for QSPR and QSAR studies
    Estrada, E
    Guevara, N
    Gutman, I
    Rodriguez, L
    SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 1998, 9 (3-4) : 229 - 240
  • [50] A NEW QUANTUM-CHEMICAL APPROACH IN QSAR-ANALYSIS - PARAMETRIZATION OF CONFORMATIONAL ENERGIES INTO MOLECULAR DESCRIPTORS JMN (STERIC) AND JS']JSN (ELECTRONIC)
    JOSHI, RK
    MEISTER, T
    SCAPOZZA, L
    HA, TK
    ARZNEIMITTEL-FORSCHUNG/DRUG RESEARCH, 1994, 44-1 (06): : 779 - 790