Machine learning for large-scale MOF screening

被引:0
|
作者
Coupry, Damien [1 ,2 ]
Groot, Laurens [1 ]
Addicoat, Matthew [2 ]
Heine, Thomas [2 ]
机构
[1] Software Chem & Mat, Amsterdam, Netherlands
[2] Univ Leipzig, Chem, Leipzig, Germany
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
4-CINF
引用
收藏
页数:1
相关论文
共 50 条
  • [1] A Universal Machine Learning Algorithm for Large-Scale Screening of Materials
    Fanourgakis, George S.
    Gkagkas, Konstantinos
    Tylianakis, Emmanuel
    Froudakis, George E.
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2020, 142 (08) : 3814 - 3822
  • [2] Move to the large-scale screening machine
    Der Weg zur Grosssiebmaschine
    [J]. Guettinger, M, 1600, (30):
  • [3] Chemically intuited, large-scale screening of MOFs by machine learning techniques
    Giorgos Borboudakis
    Taxiarchis Stergiannakos
    Maria Frysali
    Emmanuel Klontzas
    Ioannis Tsamardinos
    George E. Froudakis
    [J]. npj Computational Materials, 3
  • [4] Chemically intuited, large-scale screening of MOFs by machine learning techniques
    Borboudakis, Giorgos
    Stergiannakos, Taxiarchis
    Frysali, Maria
    Klontzas, Emmanuel
    Tsamardinos, Ioannis
    Froudakis, George E.
    [J]. NPJ COMPUTATIONAL MATERIALS, 2017, 3
  • [5] A Survey on Large-Scale Machine Learning
    Wang, Meng
    Fu, Weijie
    He, Xiangnan
    Hao, Shijie
    Wu, Xindong
    [J]. IEEE TRANSACTIONS ON KNOWLEDGE AND DATA ENGINEERING, 2022, 34 (06) : 2574 - 2594
  • [6] Machine Learning-Enabled Pipeline for Large-Scale Virtual Drug Screening
    Gupta, Aayush
    Zhou, Huan-Xiang
    [J]. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2021, 61 (09) : 4236 - 4244
  • [7] Large-scale kernel extreme learning machine
    Deng, Wan-Yu
    Zheng, Qing-Hua
    Chen, Lin
    [J]. Jisuanji Xuebao/Chinese Journal of Computers, 2014, 37 (11): : 2235 - 2246
  • [8] Efficient Machine Learning On Large-Scale Graphs
    Erickson, Parker
    Lee, Victor E.
    Shi, Feng
    Tang, Jiliang
    [J]. PROCEEDINGS OF THE 28TH ACM SIGKDD CONFERENCE ON KNOWLEDGE DISCOVERY AND DATA MINING, KDD 2022, 2022, : 4788 - 4789
  • [9] Resource Elasticity for Large-Scale Machine Learning
    Huang, Botong
    Boehm, Matthias
    Tian, Yuanyuan
    Reinwald, Berthold
    Tatikonda, Shirish
    Reiss, Frederick R.
    [J]. SIGMOD'15: PROCEEDINGS OF THE 2015 ACM SIGMOD INTERNATIONAL CONFERENCE ON MANAGEMENT OF DATA, 2015, : 137 - 152
  • [10] Large-Scale Machine Learning and Neuroimaging in Psychiatry
    Thompson, Paul
    [J]. BIOLOGICAL PSYCHIATRY, 2018, 83 (09) : S51 - S51