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SCOPE-DTI: Semi-Inductive Dataset Construction and Framework Optimization for Practical Usability Enhancement in Deep Learning-Based Drug Target Interaction Prediction

12 March 2025
Yushen Chen
Xiang Ji
Ziyue Zhang
Yuming Zhou
Yang-Chi-Dung Lin
Hsi-Yuan Huang
Tao Zhang
Yi Lai
Ke Chen
Chang Su
Xinyu Lin
Zihao Zhu
Yuhui Zhang
Kangping Wei
Jiehui Fu
Yixian Huang
Shidong Cui
Shih-Chung Yen
Ariel Warshel
Hsien-Da Huang
ArXiv (abs)PDFHTML

Papers citing "SCOPE-DTI: Semi-Inductive Dataset Construction and Framework Optimization for Practical Usability Enhancement in Deep Learning-Based Drug Target Interaction Prediction"

10 / 10 papers shown
Title
MAPE-PPI: Towards Effective and Efficient Protein-Protein Interaction
  Prediction via Microenvironment-Aware Protein Embedding
MAPE-PPI: Towards Effective and Efficient Protein-Protein Interaction Prediction via Microenvironment-Aware Protein Embedding
Lirong Wu
Yijun Tian
Yufei Huang
Siyuan Li
Haitao Lin
Nitesh Chawla
Stan Z. Li
74
23
0
22 Feb 2024
Protein Representation Learning by Geometric Structure Pretraining
Protein Representation Learning by Geometric Structure Pretraining
Zuobai Zhang
Minghao Xu
Arian R. Jamasb
Vijil Chenthamarakshan
A. Lozano
Payel Das
Jian Tang
SSL
81
233
0
11 Mar 2022
DGL-LifeSci: An Open-Source Toolkit for Deep Learning on Graphs in Life
  Science
DGL-LifeSci: An Open-Source Toolkit for Deep Learning on Graphs in Life Science
Mufei Li
Jinjing Zhou
Jiajing Hu
Wenxuan Fan
Yangkang Zhang
Yaxin Gu
George Karypis
GNNAI4CE
80
161
0
27 Jun 2021
ATOM3D: Tasks On Molecules in Three Dimensions
ATOM3D: Tasks On Molecules in Three Dimensions
Raphael J. L. Townshend
M. Vögele
Patricia Suriana
Alexander Derry
Alexander Powers
...
Brandon M. Anderson
Stephan Eismann
Risi Kondor
Russ Altman
R. Dror
AI4CE
108
125
0
07 Dec 2020
Learning from Protein Structure with Geometric Vector Perceptrons
Learning from Protein Structure with Geometric Vector Perceptrons
Bowen Jing
Stephan Eismann
Patricia Suriana
Raphael J. L. Townshend
R. Dror
GNN3DV
77
494
0
03 Sep 2020
Fast Graph Representation Learning with PyTorch Geometric
Fast Graph Representation Learning with PyTorch Geometric
Matthias Fey
J. E. Lenssen
3DHGNN3DPC
250
4,368
0
06 Mar 2019
DeepConv-DTI: Prediction of drug-target interactions via deep learning
  with convolution on protein sequences
DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences
Xuesu Xiao
Jongsoo Keum
Mohamed Suhail
51
419
0
06 Nov 2018
DeepAffinity: Interpretable Deep Learning of Compound-Protein Affinity
  through Unified Recurrent and Convolutional Neural Networks
DeepAffinity: Interpretable Deep Learning of Compound-Protein Affinity through Unified Recurrent and Convolutional Neural Networks
Mostafa Karimi
Di Wu
Zhangyang Wang
Yang Shen
87
362
0
20 Jun 2018
UMAP: Uniform Manifold Approximation and Projection for Dimension
  Reduction
UMAP: Uniform Manifold Approximation and Projection for Dimension Reduction
Leland McInnes
John Healy
James Melville
205
9,492
0
09 Feb 2018
DeepDTA: Deep Drug-Target Binding Affinity Prediction
DeepDTA: Deep Drug-Target Binding Affinity Prediction
Hakime Öztürk
E. Olmez
Arzucan Özgür
123
1,080
0
30 Jan 2018
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