A Geometric Graph-Based Deep Learning Model for Drug-Target Affinity Prediction
Fuente:
arXiv
Saved in:
| Main Authors: | Rana, Md Masud, Mukta, Farjana Tasnim, Nguyen, Duc D. |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Geometric Multi-color Message Passing Graph Neural Networks for Blood-brain Barrier Permeability Prediction
by: Nguyen, Trung, et al.
Published: (2025)
by: Nguyen, Trung, et al.
Published: (2025)
Exploiting Pre-trained Models for Drug Target Affinity Prediction with Nearest Neighbors
by: Pei, Qizhi, et al.
Published: (2024)
by: Pei, Qizhi, et al.
Published: (2024)
ViDTA: Enhanced Drug-Target Affinity Prediction via Virtual Graph Nodes and Attention-based Feature Fusion
by: Li, Minghui, et al.
Published: (2024)
by: Li, Minghui, et al.
Published: (2024)
ContactNet: Geometric-Based Deep Learning Model for Predicting Protein-Protein Interactions
by: Halfon, Matan, et al.
Published: (2024)
by: Halfon, Matan, et al.
Published: (2024)
DecoyDB: A Dataset for Graph Contrastive Learning in Protein-Ligand Binding Affinity Prediction
by: Zhang, Yupu, et al.
Published: (2025)
by: Zhang, Yupu, et al.
Published: (2025)
Assessing Reusability of Deep Learning-Based Monotherapy Drug Response Prediction Models Trained with Omics Data
by: Overbeek, Jamie C., et al.
Published: (2024)
by: Overbeek, Jamie C., et al.
Published: (2024)
A Heterogeneous Network-based Contrastive Learning Approach for Predicting Drug-Target Interaction
by: Hu, Junwei, et al.
Published: (2024)
by: Hu, Junwei, et al.
Published: (2024)
Site4Drug: Predicting Drug-Binding Target Sites with an AI Agent
by: Kim, Taehan, et al.
Published: (2026)
by: Kim, Taehan, et al.
Published: (2026)
From Static to Dynamic Structures: Improving Binding Affinity Prediction with Graph-Based Deep Learning
by: Min, Yaosen, et al.
Published: (2022)
by: Min, Yaosen, et al.
Published: (2022)
Enhancing Drug-Target Interaction Prediction through Transfer Learning from Activity Cliff Prediction Tasks
by: Ibragimova, Regina, et al.
Published: (2024)
by: Ibragimova, Regina, et al.
Published: (2024)
A Cross-Field Fusion Strategy for Drug-Target Interaction Prediction
by: Zhang, Hongzhi, et al.
Published: (2024)
by: Zhang, Hongzhi, et al.
Published: (2024)
Geometric-informed GFlowNets for Structure-Based Drug Design
by: Lee, Grayson, et al.
Published: (2024)
by: Lee, Grayson, et al.
Published: (2024)
Graph-structured Small Molecule Drug Discovery Through Deep Learning: Progress, Challenges, and Opportunities
by: Li, Kun, et al.
Published: (2025)
by: Li, Kun, et al.
Published: (2025)
Reprogramming Pretrained Target-Specific Diffusion Models for Dual-Target Drug Design
by: Zhou, Xiangxin, et al.
Published: (2024)
by: Zhou, Xiangxin, et al.
Published: (2024)
Thin Bridges for Drug Text Alignment: Lightweight Contrastive Learning for Target Specific Drug Retrieval
by: Tupakula, Mallikarjuna
Published: (2025)
by: Tupakula, Mallikarjuna
Published: (2025)
Integrating Chemical Language and Molecular Graph in Multimodal Fused Deep Learning for Drug Property Prediction
by: Lu, Xiaohua, et al.
Published: (2023)
by: Lu, Xiaohua, et al.
Published: (2023)
DDIPrompt: Drug-Drug Interaction Event Prediction based on Graph Prompt Learning
by: Wang, Yingying, et al.
Published: (2024)
by: Wang, Yingying, et al.
Published: (2024)
TerraBind: Fast and Accurate Binding Affinity Prediction through Coarse Structural Representations
by: Rossi, Matteo, et al.
Published: (2026)
by: Rossi, Matteo, et al.
Published: (2026)
ZeroFold: Protein-RNA Binding Affinity Predictions from Pre-Structural Embeddings
by: Hanke, Josef, et al.
Published: (2026)
by: Hanke, Josef, et al.
Published: (2026)
CoPRA: Bridging Cross-domain Pretrained Sequence Models with Complex Structures for Protein-RNA Binding Affinity Prediction
by: Han, Rong, et al.
Published: (2024)
by: Han, Rong, et al.
Published: (2024)
Towards Precision Protein-Ligand Affinity Prediction Benchmark: A Complete and Modification-Aware DAVIS Dataset
by: Wu, Ming-Hsiu, et al.
Published: (2025)
by: Wu, Ming-Hsiu, et al.
Published: (2025)
Rethinking Drug-Drug Interaction Modeling as Generalizable Relation Learning
by: Xu, Dong, et al.
Published: (2026)
by: Xu, Dong, et al.
Published: (2026)
Barlow Twins Deep Neural Network for Advanced 1D Drug-Target Interaction Prediction
by: Schuh, Maximilian G., et al.
Published: (2024)
by: Schuh, Maximilian G., et al.
Published: (2024)
Predicting Early and Complete Drug Release from Long-Acting Injectables Using Explainable Machine Learning
by: Robles, Karla N., et al.
Published: (2026)
by: Robles, Karla N., et al.
Published: (2026)
KITE-DDI: A Knowledge graph Integrated Transformer Model for accurately predicting Drug-Drug Interaction Events from Drug SMILES and Biomedical Knowledge Graph
by: Tamir, Azwad, et al.
Published: (2024)
by: Tamir, Azwad, et al.
Published: (2024)
AbRank: A Benchmark Dataset and Metric-Learning Framework for Antibody-Antigen Affinity Ranking
by: Liu, Chunan, et al.
Published: (2025)
by: Liu, Chunan, et al.
Published: (2025)
EquiPocket: an E(3)-Equivariant Geometric Graph Neural Network for Ligand Binding Site Prediction
by: Zhang, Yang, et al.
Published: (2023)
by: Zhang, Yang, et al.
Published: (2023)
ZeroDDI: A Zero-Shot Drug-Drug Interaction Event Prediction Method with Semantic Enhanced Learning and Dual-Modal Uniform Alignment
by: Wang, Ziyan, et al.
Published: (2024)
by: Wang, Ziyan, et al.
Published: (2024)
Deep Learning for Protein Complex Prediction and Design
by: Xie, Ziwei
Published: (2026)
by: Xie, Ziwei
Published: (2026)
CardioGenAI: A Machine Learning-Based Framework for Re-Engineering Drugs for Reduced hERG Liability
by: Kyro, Gregory W., et al.
Published: (2024)
by: Kyro, Gregory W., et al.
Published: (2024)
Scaffold-Based Multi-Objective Drug Candidate Optimization
by: Kruel, Agustin, et al.
Published: (2022)
by: Kruel, Agustin, et al.
Published: (2022)
Binding-Adaptive Diffusion Models for Structure-Based Drug Design
by: Huang, Zhilin, et al.
Published: (2024)
by: Huang, Zhilin, et al.
Published: (2024)
GeoGraph: Geometric and Graph-based Ensemble Descriptors for Intrinsically Disordered Proteins
by: Quinn, Eoin, et al.
Published: (2025)
by: Quinn, Eoin, et al.
Published: (2025)
Drug Repurposing Targeting COVID-19 3CL Protease using Molecular Docking and Machine Learning Regression Approach
by: Aqeel, Imra, et al.
Published: (2023)
by: Aqeel, Imra, et al.
Published: (2023)
K-Paths: Reasoning over Graph Paths for Drug Repurposing and Drug Interaction Prediction
by: Abdullahi, Tassallah, et al.
Published: (2025)
by: Abdullahi, Tassallah, et al.
Published: (2025)
Graph Neural Networks in Modern AI-aided Drug Discovery
by: Zhang, Odin, et al.
Published: (2025)
by: Zhang, Odin, et al.
Published: (2025)
CADGL: Context-Aware Deep Graph Learning for Predicting Drug-Drug Interactions
by: Wasi, Azmine Toushik, et al.
Published: (2024)
by: Wasi, Azmine Toushik, et al.
Published: (2024)
DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design
by: Guan, Jiaqi, et al.
Published: (2024)
by: Guan, Jiaqi, et al.
Published: (2024)
FraGNNet: A Deep Probabilistic Model for Tandem Mass Spectrum Prediction
by: Young, Adamo, et al.
Published: (2024)
by: Young, Adamo, et al.
Published: (2024)
DDoS: A Graph Neural Network based Drug Synergy Prediction Algorithm
by: Schwarz, Kyriakos, et al.
Published: (2022)
by: Schwarz, Kyriakos, et al.
Published: (2022)
Similar Items
-
Geometric Multi-color Message Passing Graph Neural Networks for Blood-brain Barrier Permeability Prediction
by: Nguyen, Trung, et al.
Published: (2025) -
Exploiting Pre-trained Models for Drug Target Affinity Prediction with Nearest Neighbors
by: Pei, Qizhi, et al.
Published: (2024) -
ViDTA: Enhanced Drug-Target Affinity Prediction via Virtual Graph Nodes and Attention-based Feature Fusion
by: Li, Minghui, et al.
Published: (2024) -
ContactNet: Geometric-Based Deep Learning Model for Predicting Protein-Protein Interactions
by: Halfon, Matan, et al.
Published: (2024) -
DecoyDB: A Dataset for Graph Contrastive Learning in Protein-Ligand Binding Affinity Prediction
by: Zhang, Yupu, et al.
Published: (2025)