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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

6 November 2018
Xuesu Xiao
Jongsoo Keum
Mohamed Suhail
ArXivPDFHTML

Papers citing "DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences"

35 / 35 papers shown
Title
PyTDC: A multimodal machine learning training, evaluation, and inference platform for biomedical foundation models
PyTDC: A multimodal machine learning training, evaluation, and inference platform for biomedical foundation models
Alejandro Velez-Arce
Marinka Zitnik
24
0
0
08 May 2025
EquiCPI: SE(3)-Equivariant Geometric Deep Learning for Structure-Aware Prediction of Compound-Protein Interactions
EquiCPI: SE(3)-Equivariant Geometric Deep Learning for Structure-Aware Prediction of Compound-Protein Interactions
Ngoc-Quang Nguyen
30
0
0
07 Apr 2025
SCOPE-DTI: Semi-Inductive Dataset Construction and Framework Optimization for Practical Usability Enhancement in Deep Learning-Based Drug Target Interaction Prediction
Y. Chen
Xiang Ji
Ziyue Zhang
Yuming Zhou
Yang-Chi-Dung Lin
...
Yixian Huang
Shidong Cui
Shih-Chung Yen
Ariel Warshel
Hsien-Da Huang
57
0
0
12 Mar 2025
Leveraging Large Language Models to Predict Antibody Biological Activity Against Influenza A Hemagglutinin
Leveraging Large Language Models to Predict Antibody Biological Activity Against Influenza A Hemagglutinin
Ella Barkan
Ibrahim Siddiqui
Kevin J. Cheng
Alex Golts
Yoel Shoshan
J. Weber
Yailin Campos Mota
Michal Ozery-Flato
Giuseppe A. Sautto
AI4CE
56
0
0
02 Feb 2025
FlexMol: A Flexible Toolkit for Benchmarking Molecular Relational
  Learning
FlexMol: A Flexible Toolkit for Benchmarking Molecular Relational Learning
Sizhe Liu
Jun-Xiong Xia
Lecheng Zhang
Yuchen Liu
Yue Liu
...
Zhangyang Gao
Bozhen Hu
Cheng Tan
Hongxin Xiang
Stan Z. Li
24
2
0
19 Oct 2024
Accurate Prediction of Ligand-Protein Interaction Affinities with
  Fine-Tuned Small Language Models
Accurate Prediction of Ligand-Protein Interaction Affinities with Fine-Tuned Small Language Models
Ben Fauber
LM&MA
40
1
0
27 Jun 2024
FusionDTI: Fine-grained Binding Discovery with Token-level Fusion for
  Drug-Target Interaction
FusionDTI: Fine-grained Binding Discovery with Token-level Fusion for Drug-Target Interaction
Zhaohan Meng
Zaiqiao Meng
I. Ounis
49
4
0
03 Jun 2024
A Cross-Field Fusion Strategy for Drug-Target Interaction Prediction
A Cross-Field Fusion Strategy for Drug-Target Interaction Prediction
Hongzhi Zhang
Xiuwen Gong
Shirui Pan
Jia Wu
Bo Du
Wenbin Hu
24
3
0
23 May 2024
HiGraphDTI: Hierarchical Graph Representation Learning for Drug-Target
  Interaction Prediction
HiGraphDTI: Hierarchical Graph Representation Learning for Drug-Target Interaction Prediction
Bin Liu
Siqi Wu
Jin Wang
Xin Deng
Ao Zhou
19
0
0
16 Apr 2024
BioT5+: Towards Generalized Biological Understanding with IUPAC
  Integration and Multi-task Tuning
BioT5+: Towards Generalized Biological Understanding with IUPAC Integration and Multi-task Tuning
Qizhi Pei
Lijun Wu
Kaiyuan Gao
Xiaozhuan Liang
Yin Fang
Jinhua Zhu
Shufang Xie
Tao Qin
Rui Yan
AI4CE
51
30
0
27 Feb 2024
PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for
  Efficient and Generalizable Compound-Protein Interaction Prediction
PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein Interaction Prediction
Lirong Wu
Yufei Huang
Cheng Tan
Zhangyang Gao
Bozhen Hu
Haitao Lin
Zicheng Liu
Stan Z. Li
11
11
0
13 Feb 2024
FragXsiteDTI: Revealing Responsible Segments in Drug-Target Interaction
  with Transformer-Driven Interpretation
FragXsiteDTI: Revealing Responsible Segments in Drug-Target Interaction with Transformer-Driven Interpretation
Ali Khodabandeh Yalabadi
Mehdi Yazdani-Jahromi
Niloofar Yousefi
Aida Tayebi
Sina Abdidizaji
O. Garibay
10
2
0
04 Nov 2023
BioT5: Enriching Cross-modal Integration in Biology with Chemical
  Knowledge and Natural Language Associations
BioT5: Enriching Cross-modal Integration in Biology with Chemical Knowledge and Natural Language Associations
Qizhi Pei
Wei Zhang
Jinhua Zhu
Kehan Wu
Kaiyuan Gao
Lijun Wu
Yingce Xia
Rui Yan
30
60
0
11 Oct 2023
Ophiuchus: Scalable Modeling of Protein Structures through Hierarchical
  Coarse-graining SO(3)-Equivariant Autoencoders
Ophiuchus: Scalable Modeling of Protein Structures through Hierarchical Coarse-graining SO(3)-Equivariant Autoencoders
Allan dos Santos Costa
Ilan Mitnikov
Mario Geiger
Manvitha Ponnapati
Tess E. Smidt
Joseph Jacobson
DiffM
18
3
0
04 Oct 2023
PIGNet2: A Versatile Deep Learning-based Protein-Ligand Interaction
  Prediction Model for Binding Affinity Scoring and Virtual Screening
PIGNet2: A Versatile Deep Learning-based Protein-Ligand Interaction Prediction Model for Binding Affinity Scoring and Virtual Screening
Seokhyun Moon
Sang-Yeon Hwang
Jaechang Lim
Woo Youn Kim
11
12
0
03 Jul 2023
MCPI: Integrating Multimodal Data for Enhanced Prediction of Compound
  Protein Interactions
MCPI: Integrating Multimodal Data for Enhanced Prediction of Compound Protein Interactions
Li Zhang
Wenhao Li
Hao Guan
Zhiquan He
Min-Cai Cheng
Han Wang
22
0
0
15 Jun 2023
Large AI Models in Health Informatics: Applications, Challenges, and the
  Future
Large AI Models in Health Informatics: Applications, Challenges, and the Future
Jianing Qiu
Lin Li
Jiankai Sun
Jiachuan Peng
Peilun Shi
...
Bo Xiao
Wu Yuan
Ningli Wang
Dong Xu
Benny P. L. Lo
AI4MH
LM&MA
40
127
0
21 Mar 2023
Structure-based drug discovery with deep learning
Structure-based drug discovery with deep learning
Rıza Özçelik
D. V. Tilborg
José Jiménez-Luna
F. Grisoni
AI4CE
19
35
0
26 Dec 2022
Predicting Protein-Ligand Binding Affinity via Joint Global-Local
  Interaction Modeling
Predicting Protein-Ligand Binding Affinity via Joint Global-Local Interaction Modeling
Yang Zhang
G. Zhou
Zhewei Wei
Hongteng Xu
27
9
0
18 Sep 2022
Interpretable bilinear attention network with domain adaptation improves
  drug-target prediction
Interpretable bilinear attention network with domain adaptation improves drug-target prediction
Peizhen Bai
Filip Miljković
Bino John
Haiping Lu
OOD
11
150
0
03 Aug 2022
Associative Learning Mechanism for Drug-Target Interaction Prediction
Associative Learning Mechanism for Drug-Target Interaction Prediction
Zhiqin Zhu
Zheng Yao
Guanqiu Qi
Neal Mazur
Baisheng Cong
OOD
14
30
0
24 May 2022
Enhanced compound-protein binding affinity prediction by representing
  protein multimodal information via a coevolutionary strategy
Enhanced compound-protein binding affinity prediction by representing protein multimodal information via a coevolutionary strategy
Binjie Guo
Hanyu Zheng
Haohan Jiang
Xiaodan Li
Nai-Yang Guan
Yanming Zuo
Yicheng Zhang
Hengfu Yang
Xuhua Wang
14
4
0
30 Mar 2022
A Supervised Machine Learning Approach for Sequence Based
  Protein-protein Interaction (PPI) Prediction
A Supervised Machine Learning Approach for Sequence Based Protein-protein Interaction (PPI) Prediction
Soumyadeep Debnath
A. F. Mollah
11
5
0
23 Mar 2022
Hierarchical Graph Representation Learning for the Prediction of
  Drug-Target Binding Affinity
Hierarchical Graph Representation Learning for the Prediction of Drug-Target Binding Affinity
Zhaoyang Chu
Shichao Liu
Wen Zhang
25
40
0
22 Mar 2022
Deep learning for drug repurposing: methods, databases, and applications
Deep learning for drug repurposing: methods, databases, and applications
Xiao Pan
Xuan Lin
Dongsheng Cao
Xiangxiang Zeng
Philip S. Yu
Lifang He
R. Nussinov
F. Cheng
25
124
0
08 Feb 2022
CSI: Contrastive Data Stratification for Interaction Prediction and its
  Application to Compound-Protein Interaction Prediction
CSI: Contrastive Data Stratification for Interaction Prediction and its Application to Compound-Protein Interaction Prediction
A. Kalia
Dilip Krishnan
Soha Hassoun Tufts University
13
2
0
18 Nov 2021
Drug-Target Interaction Prediction with Graph Attention networks
Drug-Target Interaction Prediction with Graph Attention networks
Haiyang Wang
Guangyu Zhou
Siqi Liu
Jyun-Yu Jiang
Wei Wang
GNN
14
22
0
10 Jul 2021
ParaVS: A Simple, Fast, Efficient and Flexible Graph Neural Network
  Framework for Structure-Based Virtual Screening
ParaVS: A Simple, Fast, Efficient and Flexible Graph Neural Network Framework for Structure-Based Virtual Screening
Junfeng Wu
Dawei Leng
Lurong Pan
11
0
0
08 Feb 2021
BridgeDPI: A Novel Graph Neural Network for Predicting Drug-Protein
  Interactions
BridgeDPI: A Novel Graph Neural Network for Predicting Drug-Protein Interactions
Yifan Wu
Min Gao
Min Zeng
Feiyang Chen
Min Li
Jie Zhang
22
32
0
29 Jan 2021
Bayesian neural network with pretrained protein embedding enhances
  prediction accuracy of drug-protein interaction
Bayesian neural network with pretrained protein embedding enhances prediction accuracy of drug-protein interaction
QHwan Kim
Joon-Hyuk Ko
Sunghoon Kim
Nojun Park
W. Jhe
BDL
32
27
0
15 Dec 2020
Multi-View Self-Attention for Interpretable Drug-Target Interaction
  Prediction
Multi-View Self-Attention for Interpretable Drug-Target Interaction Prediction
Brighter Agyemang
Wei-Ping Wu
Michael Y. Kpiebaareh
Zhihua Lei
Ebenezer Nanor
Lei Chen
20
28
0
01 May 2020
MolTrans: Molecular Interaction Transformer for Drug Target Interaction
  Prediction
MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction
Kexin Huang
Cao Xiao
Lucas Glass
Jimeng Sun
9
299
0
23 Apr 2020
DeepPurpose: a Deep Learning Library for Drug-Target Interaction
  Prediction
DeepPurpose: a Deep Learning Library for Drug-Target Interaction Prediction
Kexin Huang
Tianfan Fu
Lucas Glass
Marinka Zitnik
Cao Xiao
Jimeng Sun
VLM
16
17
0
19 Apr 2020
Explainable Deep Relational Networks for Predicting Compound-Protein
  Affinities and Contacts
Explainable Deep Relational Networks for Predicting Compound-Protein Affinities and Contacts
Mostafa Karimi
Di Wu
Zhangyang Wang
Yang Shen
27
46
0
29 Dec 2019
Drug-Target Indication Prediction by Integrating End-to-End Learning and
  Fingerprints
Drug-Target Indication Prediction by Integrating End-to-End Learning and Fingerprints
Brighter Agyemang
Wei-Ping Wu
Michael Y. Kpiebaareh
Ebenezer Nanor
19
2
0
03 Dec 2019
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