Quantum-chemical descriptors in QSAR/QSPR studies

被引：1358
|
作者：
Karelson, M [1 ]
Lobanov, VS [1 ]
Katritzky, AR [1 ]
机构：
[1] UNIV FLORIDA, DEPT CHEM, CTR HETEROCYCL CPDS, GAINESVILLE, FL 32611 USA
来源：
CHEMICAL REVIEWS | 1996年 / 96卷 / 03期
关键词：
D O I：
10.1021/cr950202r
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
[No abstract available]
引用
收藏
页码：1027 / 1043
页数：17
相关论文
共 50 条
  • [1] Use of semiempirical quantum-chemical molecular descriptors in QSAR/QSPR.
    Karelson, M
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1996, 211 : 154 - COMP
  • [2] QSAR/QSPR studies by Cluj and Szeged descriptors
    Katona, G
    Turcu, G
    Kiss, AA
    Minailiuc, OM
    Diudea, MV
    [J]. REVUE ROUMAINE DE CHIMIE, 2001, 46 (04) : 395 - 410
  • [3] QSPR studies on vinyl polymers based on quantum chemical descriptors
    Yu, XL
    Wang, XY
    Gao, JW
    Xiao-Bing, L
    Wang, HL
    [J]. ACTA CHIMICA SINICA, 2006, 64 (07) : 629 - 636
  • [4] Evaluation and use of BCUT descriptors in QSAR and QSPR studies
    Stanton, DT
    [J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1999, 39 (01): : 11 - 20
  • [5] Molecular descriptors in QSAR/QSPR
    Karelson, M.
    [J]. Angewandte Chemie (International Edition in English), 2001, 40 (06):
  • [6] A Refractive Index Study of a Diverse Set of Polymeric Materials by QSPR with Quantum-Chemical and Additive Descriptors
    Erickson, Meade E.
    Ngongang, Marvellous
    Rasulev, Bakhtiyor
    [J]. MOLECULES, 2020, 25 (17):
  • [7] Fragmental descriptors with labeled atoms and their application in QSAR/QSPR studies
    Zhokhova, N. I.
    Baskin, I. I.
    Palyulin, V. A.
    Zefirov, A. N.
    Zefirov, N. S.
    [J]. DOKLADY CHEMISTRY, 2007, 417 (2) : 282 - 284
  • [8] Evaluation and use of BCUT descriptors in QSAR and QSPR studies.
    Stanton, DT
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1998, 215 : U525 - U525
  • [9] Fragmental descriptors with labeled atoms and their application in QSAR/QSPR studies
    N. I. Zhokhova
    I. I. Baskin
    V. A. Palyulin
    A. N. Zefirov
    N. S. Zefirov
    [J]. Doklady Chemistry, 2007, 417 : 282 - 284
  • [10] SYSTEMATIC QSAR PROCEDURES WITH QUANTUM CHEMICAL DESCRIPTORS
    KIKUCHI, O
    [J]. QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, 1987, 6 (04): : 179 - 184
12345