Method of continuous molecular fields in the search for quantitative structure-activity relationships

被引:0
|
作者
N. I. Zhokhova
I. I. Baskin
D. K. Bakhronov
V. A. Palyulin
N. S. Zefirov
机构
[1] Moscow State University,
来源
Doklady Chemistry | 2009年 / 429卷
关键词
Thrombin; Support Vector Regression; DOKLADY Chemistry; Molecular Field; Grid Cell Size;
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
页码:273 / 276
页数:3
相关论文
共 50 条
  • [1] Method of continuous molecular fields in the search for quantitative structure-activity relationships
    Zhokhova, N. I.
    Baskin, I. I.
    Bakhronov, D. K.
    Palyulin, V. A.
    Zefirov, N. S.
    DOKLADY CHEMISTRY, 2009, 429 : 273 - 276
  • [2] Continuous molecular fields and the concept of molecular co-fields in structure-activity studies
    Baskin, Igor I.
    Zhokhova, Nelly, I
    FUTURE MEDICINAL CHEMISTRY, 2019, 11 (20) : 2701 - 2713
  • [3] Wavelet Approximation of GRID Fields: Application to Quantitative Structure-Activity Relationships
    Martin, Richard L.
    Gardiner, Eleanor
    Gillet, Valerie J.
    Munoz-Muriedas, Jordi
    Senger, Stefan
    MOLECULAR INFORMATICS, 2010, 29 (8-9) : 603 - 620
  • [4] Deep Neural Nets as a Method for Quantitative Structure-Activity Relationships
    Ma, Junshui
    Sheridan, Robert P.
    Liaw, Andy
    Dahl, George E.
    Svetnik, Vladimir
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2015, 55 (02) : 263 - 274
  • [5] Extreme Gradient Boosting as a Method for Quantitative Structure-Activity Relationships
    Sheridan, Robert P.
    Wang, Wei Min
    Liaw, Andy
    Ma, Junshui
    Gifford, Eric M.
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2016, 56 (12) : 2353 - 2360
  • [6] Quantitative Structure-Activity Relationships (QSAR) with the MolNet Molecular Graph Machine
    Ivanciuc, Ovidiu
    CURRENT BIOINFORMATICS, 2011, 6 (02) : 261 - 268
  • [7] In search of structure-activity relationships in transition metal-based molecular conductors
    Mcgrady, John
    Arcisauskaite, Vaida
    Lamb, James
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 255
  • [8] Quantitative structure-activity relationships of antiarrhythmic drugs
    Gupta, SP
    CURRENT PHARMACEUTICAL DESIGN, 1998, 4 (06) : 455 - 468
  • [9] Quantitative structure-activity relationships of dihydrofolatereductase inhibitors
    Zare-Shahabadi, Vahid
    MEDICINAL CHEMISTRY RESEARCH, 2016, 25 (12) : 2787 - 2797
  • [10] Mereology of Quantitative Structure-Activity Relationships Models
    Restrepo, Guillermo
    Harre, Rom
    HYLE, 2015, 21 (01): : 19 - 38