Generalized fragmental approach in QSAR/QSPR studies

被引：0
|
作者：
S. B. Sosnin
E. V. Radchenko
V. A. Palyulin
N. S. Zefirov
机构：
[1] Lomonosov Moscow State University,Institute of Physiologically Active Compounds
[2] Russian Academy of Sciences,undefined
来源：
Doklady Chemistry | 2015年 / 463卷
关键词：
Random Forest; Molecular Graph; DOKLADY Chemistry; Hybridize Carbon Atom; Virtual Screen;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
页码：185 / 188
页数：3
相关论文
共 50 条
  • [1] Generalized fragmental approach in QSAR/QSPR studies
    Sosnin, S. B.
    Radchenko, E. V.
    Palyulin, V. A.
    Zefirov, N. S.
    DOKLADY CHEMISTRY, 2015, 463 : 185 - 188
  • [2] 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
    Doklady Chemistry, 2007, 417 : 282 - 284
  • [3] 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.
    DOKLADY CHEMISTRY, 2007, 417 (2) : 282 - 284
  • [4] Fragmental approach in QSPR
    Zefirov, NS
    Palyulin, VA
    JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2002, 42 (05): : 1112 - 1122
  • [5] The Studies of QSPR/QSAR for Ionic Liquids
    Zheng Yansheng
    Mo Qian
    Liu Zhaoming
    PROGRESS IN CHEMISTRY, 2009, 21 (09) : 1772 - 1781
  • [6] 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
  • [7] Fragmental graphs. A novel approach to generate a new family of descriptors. Applications to QSPR studies
    Guevara, N
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1999, 493 : 29 - 36
  • [8] QSAR/QSPR studies using probabilistic neural networks and generalized regression neural networks
    Mosier, PD
    Jurs, PC
    JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2002, 42 (06): : 1460 - 1470
  • [9] QSAR/QSPR studies by Cluj and Szeged descriptors
    Katona, G
    Turcu, G
    Kiss, AA
    Minailiuc, OM
    Diudea, MV
    REVUE ROUMAINE DE CHIMIE, 2001, 46 (04) : 395 - 410
  • [10] QSAR and QSPR studies of a highly structured physicochemical domain
    Nicolotti, O
    Carotti, A
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2006, 46 (01) : 264 - 276
12345