Pretraining deep learning molecular representations for property prediction

被引:0
|
作者
Liu, Bowen [1 ]
Hu, Weihua [1 ]
Leskovec, Jure [1 ]
Liang, Percy [1 ]
Pande, Vijay [1 ]
机构
[1] Stanford Univ, Stanford, CA 94305 USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
114
引用
收藏
页数:1
相关论文
共 50 条
  • [1] Advanced deep learning methods for molecular property prediction
    Pang, Chao
    Tong, Henry H. Y.
    Wei, Leyi
    [J]. QUANTITATIVE BIOLOGY, 2023, 11 (04) : 395 - 404
  • [2] Deep learning methods for molecular representation and property prediction
    Li, Zhen
    Jiang, Mingjian
    Wang, Shuang
    Zhang, Shugang
    [J]. DRUG DISCOVERY TODAY, 2022, 27 (12)
  • [3] Applications of Deep Learning in Molecule Generation and Molecular Property Prediction
    Walters, W. Patrick
    Barzilay, Regina
    [J]. ACCOUNTS OF CHEMICAL RESEARCH, 2021, 54 (02) : 263 - 270
  • [4] Deep contrastive learning of molecular conformation for efficient property prediction
    Yang Jeong Park
    HyunGi Kim
    Jeonghee Jo
    Sungroh Yoon
    [J]. Nature Computational Science, 2023, 3 : 1015 - 1022
  • [5] Evidential Deep Learning for Guided Molecular Property Prediction and Discovery
    Soleimany, Ava P.
    Amini, Alexander
    Goldman, Samuel
    Rus, Daniela
    Bhatia, Sangeeta N.
    Coley, Connor W.
    [J]. ACS CENTRAL SCIENCE, 2021, 7 (08) : 1356 - 1367
  • [6] Deep contrastive learning of molecular conformation for efficient property prediction
    Park, Yang Jeong
    Kim, Hyungi
    Jo, Jeonghee
    Yoon, Sungroh
    [J]. NATURE COMPUTATIONAL SCIENCE, 2023, 3 (12): : 1015 - +
  • [7] Analyzing Learned Molecular Representations for Property Prediction
    Yang, Kevin
    Swanson, Kyle
    Jin, Wengong
    Coley, Connor
    Eiden, Philipp
    Gao, Hua
    Guzman-Perez, Angel
    Hopper, Timothy
    Kelley, Brian
    Mathea, Miriam
    Palmer, Andrew
    Settels, Volker
    Jaakkola, Tommi
    Jensen, Klavs
    Barzilay, Regina
    [J]. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2019, 59 (08) : 3370 - 3388
  • [8] Graph Neural Networks Pretraining Through Inherent Supervision for Molecular Property Prediction
    Benjamin, Roy
    Singer, Uriel
    Radinsky, Kira
    [J]. PROCEEDINGS OF THE 31ST ACM INTERNATIONAL CONFERENCE ON INFORMATION AND KNOWLEDGE MANAGEMENT, CIKM 2022, 2022, : 2903 - 2912
  • [9] Geometric deep learning on molecular representations
    Kenneth Atz
    Francesca Grisoni
    Gisbert Schneider
    [J]. Nature Machine Intelligence, 2021, 3 : 1023 - 1032
  • [10] Geometric deep learning on molecular representations
    Atz, Kenneth
    Grisoni, Francesca
    Schneider, Gisbert
    [J]. NATURE MACHINE INTELLIGENCE, 2021, 3 (12) : 1023 - 1032