Benchmark on Drug Target Interaction Modeling from a Drug Structure Perspective
Fuente:
arXiv
Saved in:
| Main Authors: | Zhang, Xinnan, Wu, Jialin, Xie, Junyi, Chen, Tianlong, Zhou, Kaixiong |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
scDrugMap: Benchmarking Large Foundation Models for Drug Response Prediction
by: Wang, Qing, et al.
Published: (2025)
by: Wang, Qing, et al.
Published: (2025)
LLMs for Drug-Drug Interaction Prediction: A Comprehensive Comparison
by: De Vito, Gabriele, et al.
Published: (2025)
by: De Vito, Gabriele, et al.
Published: (2025)
Structure-based Drug Design Benchmark: Do 3D Methods Really Dominate?
by: Zheng, Kangyu, et al.
Published: (2024)
by: Zheng, Kangyu, et al.
Published: (2024)
SCOPE-DTI: Semi-Inductive Dataset Construction and Framework Optimization for Practical Usability Enhancement in Deep Learning-Based Drug Target Interaction Prediction
by: Chen, Yigang, et al.
Published: (2025)
by: Chen, Yigang, et al.
Published: (2025)
FusionDTI: Fine-grained Binding Discovery with Token-level Fusion for Drug-Target Interaction
by: Meng, Zhaohan, et al.
Published: (2024)
by: Meng, Zhaohan, et al.
Published: (2024)
Synthetic Data from Diffusion Models Improve Drug Discovery Prediction
by: Hu, Bing, et al.
Published: (2024)
by: Hu, Bing, et al.
Published: (2024)
Diffusion Models at the Drug Discovery Frontier: A Review on Generating Small Molecules versus Therapeutic Peptides
by: Wang, Yiquan, et al.
Published: (2025)
by: Wang, Yiquan, et al.
Published: (2025)
From Detection to Mechanism: Cross-Attention Graph Neural Networks Enable Drug-Drug Interaction Type Prediction An Ablation Study with Acetylsalicylic Acid Validation
by: Dietrich, Juergen
Published: (2026)
by: Dietrich, Juergen
Published: (2026)
Drug Discovery SMILES-to-Pharmacokinetics Diffusion Models with Deep Molecular Understanding
by: Hu, Bing, et al.
Published: (2024)
by: Hu, Bing, et al.
Published: (2024)
DrugAgent: Multi-Agent Large Language Model-Based Reasoning for Drug-Target Interaction Prediction
by: Inoue, Yoshitaka, et al.
Published: (2024)
by: Inoue, Yoshitaka, et al.
Published: (2024)
DeepCRE: Transforming Drug R&D via AI-Driven Cross-drug Response Evaluation
by: Wu, Yushuai, et al.
Published: (2024)
by: Wu, Yushuai, et al.
Published: (2024)
VQSynery: Robust Drug Synergy Prediction With Vector Quantization Mechanism
by: Wu, Jiawei, et al.
Published: (2024)
by: Wu, Jiawei, et al.
Published: (2024)
Entropy-Reinforced Planning with Large Language Models for Drug Discovery
by: Liu, Xuefeng, et al.
Published: (2024)
by: Liu, Xuefeng, et al.
Published: (2024)
Empowering LLMs for Structure-Based Drug Design via Exploration-Augmented Latent Inference
by: Hu, Xuanning, et al.
Published: (2026)
by: Hu, Xuanning, et al.
Published: (2026)
Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug Design
by: Liu, Shengchao, et al.
Published: (2024)
by: Liu, Shengchao, et al.
Published: (2024)
Equivariant Graph Attention Networks with Structural Motifs for Predicting Cell Line-Specific Synergistic Drug Combinations
by: Schwehr, Zachary
Published: (2024)
by: Schwehr, Zachary
Published: (2024)
HGTDR: Advancing Drug Repurposing with Heterogeneous Graph Transformers
by: Gharizadeh, Ali, et al.
Published: (2024)
by: Gharizadeh, Ali, et al.
Published: (2024)
Large Language Models in Drug Discovery and Development: From Disease Mechanisms to Clinical Trials
by: Zheng, Yizhen, et al.
Published: (2024)
by: Zheng, Yizhen, et al.
Published: (2024)
MIN: Multi-channel Interaction Network for Drug-Target Interaction with Protein Distillation
by: Li, Shuqi, et al.
Published: (2024)
by: Li, Shuqi, et al.
Published: (2024)
Research on Adverse Drug Reaction Prediction Model Combining Knowledge Graph Embedding and Deep Learning
by: Li, Yufeng, et al.
Published: (2024)
by: Li, Yufeng, et al.
Published: (2024)
Dynamics-inspired Structure Hallucination for Protein-protein Interaction Modeling
by: Wu, Fang, et al.
Published: (2026)
by: Wu, Fang, et al.
Published: (2026)
DrugR: Optimizing Molecular Drugs through LLM-based Explicit Reasoning
by: Liu, Haoran, et al.
Published: (2026)
by: Liu, Haoran, et al.
Published: (2026)
Sample-Efficient Adaptation of Drug-Response Models to Patient Tumors under Strong Biological Domain Shift
by: Cortes, Camille Jimenez, et al.
Published: (2026)
by: Cortes, Camille Jimenez, et al.
Published: (2026)
Completion of the DrugMatrix Toxicogenomics Database using 3-Dimensional Tensors
by: Nguyen, Tan, et al.
Published: (2025)
by: Nguyen, Tan, et al.
Published: (2025)
HiGraphDTI: Hierarchical Graph Representation Learning for Drug-Target Interaction Prediction
by: Liu, Bin, et al.
Published: (2024)
by: Liu, Bin, et al.
Published: (2024)
M$^{3}$-20M: A Large-Scale Multi-Modal Molecule Dataset for AI-driven Drug Design and Discovery
by: Guo, Siyuan, et al.
Published: (2024)
by: Guo, Siyuan, et al.
Published: (2024)
DrugAssist: A Large Language Model for Molecule Optimization
by: Ye, Geyan, et al.
Published: (2023)
by: Ye, Geyan, et al.
Published: (2023)
Drug-Target Interaction/Affinity Prediction: Deep Learning Models and Advances Review
by: Vefghi, Ali, et al.
Published: (2025)
by: Vefghi, Ali, et al.
Published: (2025)
Evaluating the Effectiveness of Artificial Intelligence in Predicting Adverse Drug Reactions among Cancer Patients: A Systematic Review and Meta-Analysis
by: Abdeldjouad, Fatma Zahra, et al.
Published: (2024)
by: Abdeldjouad, Fatma Zahra, et al.
Published: (2024)
Protein Structure Tokenization: Benchmarking and New Recipe
by: Yuan, Xinyu, et al.
Published: (2025)
by: Yuan, Xinyu, et al.
Published: (2025)
DeepProtein: Deep Learning Library and Benchmark for Protein Sequence Learning
by: Xie, Jiaqing, et al.
Published: (2024)
by: Xie, Jiaqing, et al.
Published: (2024)
A Graph-in-Graph Learning Framework for Drug-Target Interaction Prediction
by: Song, Yuehua, et al.
Published: (2025)
by: Song, Yuehua, et al.
Published: (2025)
LLM$^3$-DTI: A Large Language Model and Multi-modal data co-powered framework for Drug-Target Interaction prediction
by: Zhang, Yuhao, et al.
Published: (2025)
by: Zhang, Yuhao, et al.
Published: (2025)
Predicting Postoperative Stroke in Elderly SICU Patients: An Interpretable Machine Learning Model Using MIMIC Data
by: Li, Tinghuan, et al.
Published: (2025)
by: Li, Tinghuan, et al.
Published: (2025)
Equivariant Asynchronous Diffusion: An Adaptive Denoising Schedule for Accelerated Molecular Conformation Generation
by: An, Junyi, et al.
Published: (2026)
by: An, Junyi, et al.
Published: (2026)
MGKAN: Predicting Asymmetric Drug-Drug Interactions via a Multimodal Graph Kolmogorov-Arnold Network
by: Fan, Kunyi, et al.
Published: (2026)
by: Fan, Kunyi, et al.
Published: (2026)
A Systematic Survey and Benchmark of Deep Learning for Molecular Property Prediction in the Foundation Model Era
by: Li, Zongru, et al.
Published: (2026)
by: Li, Zongru, et al.
Published: (2026)
PGraphDTA: Improving Drug Target Interaction Prediction using Protein Language Models and Contact Maps
by: Bal, Rakesh, et al.
Published: (2023)
by: Bal, Rakesh, et al.
Published: (2023)
Reading the Cell, Designing the Cure: Perturbation-Conditioned Molecular Diffusion for Function-Oriented Drug Design
by: Xu, Ziyu, et al.
Published: (2026)
by: Xu, Ziyu, et al.
Published: (2026)
Hashing for Protein Structure Similarity Search
by: Han, Jin, et al.
Published: (2024)
by: Han, Jin, et al.
Published: (2024)
Similar Items
-
scDrugMap: Benchmarking Large Foundation Models for Drug Response Prediction
by: Wang, Qing, et al.
Published: (2025) -
LLMs for Drug-Drug Interaction Prediction: A Comprehensive Comparison
by: De Vito, Gabriele, et al.
Published: (2025) -
Structure-based Drug Design Benchmark: Do 3D Methods Really Dominate?
by: Zheng, Kangyu, et al.
Published: (2024) -
SCOPE-DTI: Semi-Inductive Dataset Construction and Framework Optimization for Practical Usability Enhancement in Deep Learning-Based Drug Target Interaction Prediction
by: Chen, Yigang, et al.
Published: (2025) -
FusionDTI: Fine-grained Binding Discovery with Token-level Fusion for Drug-Target Interaction
by: Meng, Zhaohan, et al.
Published: (2024)