Generative topographic mapping: Universal tool for chemical space analysis

被引：0
|
作者：
Varnek, Alexandre [1 ]
机构：
[1] Univ Strasbourg, Chem, Strasbourg, France
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2015年 / 250卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
96
引用
下载
收藏
页数：1
相关论文
共 50 条
  • [1] Generative Topographic Mapping Approach to Chemical Space Analysis
    Gaspar, Helena A.
    Sidorov, Pavel
    Horvath, Dragos
    Baskin, Igor I.
    Marcou, Gilles
    Varnek, Alexandre
    FRONTIERS IN MOLECULAR DESIGN AND CHEMIAL INFORMATION SCIENCE - HERMAN SKOLNIK AWARD SYMPOSIUM 2015: JURGEN BAJORATH, 2016, 1222 : 211 - 241
  • [2] Visualization and Analysis of the REACH-chemical Space with Generative Topographic Mapping
    Lunghini, Filippo
    Gilles, Marcou
    Azam, Philippe
    Enrici, Marie-Helene
    Van Miert, Erik
    Varnek, Alexandre
    MOLECULAR INFORMATICS, 2021, 40 (04)
  • [3] Generative Topographic Mapping of Conformational Space
    Horvath, Dragos
    Baskin, Igor
    Marcou, Gilles
    Varnek, Alexandre
    MOLECULAR INFORMATICS, 2017, 36 (10)
  • [4] Generative Topographic Mapping of the Docking Conformational Space
    Horvath, Dragos
    Marcou, Gilles
    Varnek, Alexandre
    MOLECULES, 2019, 24 (12):
  • [5] Diversifying chemical libraries with generative topographic mapping
    Lin, Arkadii
    Beck, Bernd
    Horvath, Dragos
    Marcou, Gilles
    Varnek, Alexandre
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2020, 34 (07) : 805 - 815
  • [6] Diversifying chemical libraries with generative topographic mapping
    Arkadii Lin
    Bernd Beck
    Dragos Horvath
    Gilles Marcou
    Alexandre Varnek
    Journal of Computer-Aided Molecular Design, 2020, 34 : 805 - 815
  • [7] Generative Topographic Mapping Approach to Modeling and Chemical Space Visualization of Human Intestinal Transporters
    Gimadiev T.R.
    Madzhidov T.I.
    Marcou G.
    Varnek A.
    BioNanoScience, 2016, 6 (4) : 464 - 472
  • [8] Monitoring of the Conformational Space of Dipeptides by Generative Topographic Mapping
    Horvath, Dragos
    Marcou, Gilles
    Varnek, Alexandre
    MOLECULAR INFORMATICS, 2018, 37 (1-2)
  • [9] Generative Topographic Mapping (GTM): Universal Tool for Data Visualization, Structure-Activity Modeling and Dataset Comparison
    Kireeva, N.
    Baskin, I. I.
    Gaspar, H. A.
    Horvath, D.
    Marcou, G.
    Varnek, A.
    MOLECULAR INFORMATICS, 2012, 31 (3-4) : 301 - 312
  • [10] Supervised generative topographic mapping for in silico assessment of chemical liabilities
    Kireeva, Natalia
    Ovchinnikova, Svetlana I.
    Tsivadze, Asian Yu
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 246
12345