GeneralizedDTA: combining pre-training and multi-task learning to predict drug-target binding affinity for unknown drug discovery

被引:0
|
作者
Shaofu Lin
Chengyu Shi
Jianhui Chen
机构
[1] Beijing University of Technology,Faculty of Information Technology
[2] Beijing University of Technology,Beijing International Collaboration Base on Brain Informatics and Wisdom Services
[3] Beijing University Of Technology,Beijing Key Laboratory of MRI and Brain Informatics
来源
关键词
DTA prediction; Pre-training task; Multi-task learning; Dual adaptation mechanism;
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [21] Improvement of multi-task learning by data enrichment: application for drug discovery
    Sosnina, Ekaterina A.
    Sosnin, Sergey
    Fedorov, Maxim V.
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2023, 37 (04) : 183 - 200
  • [22] Multi-task Pre-training with Soft Biometrics for Transfer-learning Palmprint Recognition
    Xu, Huanhuan
    Leng, Lu
    Yang, Ziyuan
    Teoh, Andrew Beng Jin
    Jin, Zhe
    NEURAL PROCESSING LETTERS, 2023, 55 (03) : 2341 - 2358
  • [23] Multi-task Pre-training with Soft Biometrics for Transfer-learning Palmprint Recognition
    Huanhuan Xu
    Lu Leng
    Ziyuan Yang
    Andrew Beng Jin Teoh
    Zhe Jin
    Neural Processing Letters, 2023, 55 : 2341 - 2358
  • [24] Prediction of Drug-target Binding Affinity by An Ensemble Learning System with Network Fusion Information
    Zhang, Cheng Lin
    Zhang, You Zhi
    Wang, Bing
    Chen, Peng
    CURRENT BIOINFORMATICS, 2021, 16 (10) : 1223 - 1235
  • [25] DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction
    Lin, Xuan
    Zhao, Kaiqi
    Xiao, Tong
    Quan, Zhe
    Wang, Zhi-Jie
    Yu, Philip S.
    ECAI 2020: 24TH EUROPEAN CONFERENCE ON ARTIFICIAL INTELLIGENCE, 2020, 325 : 1301 - 1308
  • [26] Combining machine-learning and molecular-modeling methods for drug-target affinity predictions
    Perez-Lopez, Carles
    Molina, Alexis
    Lozoya, Estrella
    Segarra, Victor
    Municoy, Marti
    Guallar, Victor
    WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2023, 13 (04)
  • [27] Predicting drug-target binding affinity with cross-scale graph contrastive learning
    Wang, Jingru
    Xiao, Yihang
    Shang, Xuequn
    Peng, Jiajie
    BRIEFINGS IN BIOINFORMATICS, 2024, 25 (01)
  • [28] Fusion-Based Deep Learning Architecture for Detecting Drug-Target Binding Affinity Using Target and Drug Sequence and Structure
    Wang, Kaili
    Li, Min
    IEEE JOURNAL OF BIOMEDICAL AND HEALTH INFORMATICS, 2023, 27 (12) : 6112 - 6120
  • [29] MMD-DTA: A Multi-Modal Deep Learning Framework for Drug-Target Binding Affinity and Binding Region Prediction
    Zhang, Qi
    Wei, Yuxiao
    Liao, Bo
    Liu, Liwei
    Zhang, Shengli
    IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS, 2024, 21 (06) : 2200 - 2211
  • [30] MMPD-DTA: Integrating Multi-Modal Deep Learning with Pocket-Drug Graphs for Drug-Target Binding Affinity Prediction
    Wang, Guishen
    Zhang, Hangchen
    Shao, Mengting
    Sun, Shisen
    Cao, Chen
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2025, 65 (03) : 1615 - 1630