Cover Image

Customized Subgraph Selection and Encoding for Drug-drug Interaction Prediction

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Du, Haotong, Yao, Quanming, Zhang, Juzheng, Liu, Yang, Wang, Zhen
Format:	Preprint
Published:	2024
Subjects:	Machine Learning Artificial Intelligence Biomolecules
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

DDIPrompt: Drug-Drug Interaction Event Prediction based on Graph Prompt Learning
by: Wang, Yingying, et al.
Published: (2024)

Addressing Model Overcomplexity in Drug-Drug Interaction Prediction With Molecular Fingerprints
by: Gil-Sorribes, Manel, et al.
Published: (2025)

A Hybrid Computational Intelligence Framework with Metaheuristic Optimization for Drug-Drug Interaction Prediction
by: Shamami, Maryam Abdollahi, et al.
Published: (2025)

Barlow Twins Deep Neural Network for Advanced 1D Drug-Target Interaction Prediction
by: Schuh, Maximilian G., et al.
Published: (2024)

Towards a Better Model with Dual Transformer for Drug Response Prediction
by: Li, Kun, et al.
Published: (2022)

Inductive-Associative Meta-learning Pipeline with Human Cognitive Patterns for Unseen Drug-Target Interaction Prediction
by: Lian, Xiaoqing, et al.
Published: (2025)

ViDTA: Enhanced Drug-Target Affinity Prediction via Virtual Graph Nodes and Attention-based Feature Fusion
by: Li, Minghui, et al.
Published: (2024)

Reaction Prediction via Interaction Modeling of Symmetric Difference Shingle Sets
by: Shi, Runhan, et al.
Published: (2025)

HCAF-DTA: drug-target binding affinity prediction with cross-attention fused hypergraph neural networks
by: Li, Jiannuo, et al.
Published: (2025)

InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery
by: Cao, He, et al.
Published: (2023)

Exploiting Pre-trained Models for Drug Target Affinity Prediction with Nearest Neighbors
by: Pei, Qizhi, et al.
Published: (2024)

PRING: Rethinking Protein-Protein Interaction Prediction from Pairs to Graphs
by: Zheng, Xinzhe, et al.
Published: (2025)

Multi-level Interaction Modeling for Protein Mutational Effect Prediction
by: Mo, Yuanle, et al.
Published: (2024)

Heterogeneous networks in drug-target interaction prediction
by: Molaee, Mohammad, et al.
Published: (2025)

ACEGEN: Reinforcement learning of generative chemical agents for drug discovery
by: Bou, Albert, et al.
Published: (2024)

WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking
by: Liu, Yunchao, et al.
Published: (2024)

Tensor-DTI: Enhancing Biomolecular Interaction Prediction with Contrastive Embedding Learning
by: Gil-Sorribes, Manel, et al.
Published: (2026)

Piloting Structure-Based Drug Design via Modality-Specific Optimal Schedule
by: Qiu, Keyue, et al.
Published: (2025)

Advanced Deep Learning Methods for Protein Structure Prediction and Design
by: Zhang, Yichao, et al.
Published: (2025)

Phenotypic Profile-Informed Generation of Drug-Like Molecules via Dual-Channel Variational Autoencoders
by: Liu, Hui, et al.
Published: (2025)

Technical Report of HelixFold3 for Biomolecular Structure Prediction
by: Liu, Lihang, et al.
Published: (2024)

PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein Interaction Prediction
by: Wu, Lirong, et al.
Published: (2024)

A Generalist Cross-Domain Molecular Learning Framework for Structure-Based Drug Discovery
by: Zhu, Yiheng, et al.
Published: (2025)

CovDocker: Benchmarking Covalent Drug Design with Tasks, Datasets, and Solutions
by: Peng, Yangzhe, et al.
Published: (2025)

log-RRIM: Yield Prediction via Local-to-global Reaction Representation Learning and Interaction Modeling
by: Hu, Xiao, et al.
Published: (2024)

CADGL: Context-Aware Deep Graph Learning for Predicting Drug-Drug Interactions
by: Wasi, Azmine Toushik, et al.
Published: (2024)

DEL-Ranking: Ranking-Correction Denoising Framework for Elucidating Molecular Affinities in DNA-Encoded Libraries
by: Cao, Hanqun, et al.
Published: (2024)

Towards Interpretable Protein Structure Prediction with Sparse Autoencoders
by: Parsan, Nithin, et al.
Published: (2025)

Drug Release Modeling using Physics-Informed Neural Networks
by: Qureshi, Daanish Aleem, et al.
Published: (2026)

Exploring the Potential of Large Language Models in Graph Generation
by: Yao, Yang, et al.
Published: (2024)

Contrastive Multi-Task Learning with Solvent-Aware Augmentation for Drug Discovery
by: Lan, Jing, et al.
Published: (2025)

A Foundation Chemical Language Model for Comprehensive Fragment-Based Drug Discovery
by: Ho, Alexander, et al.
Published: (2025)

Interpreting GFlowNets for Drug Discovery: Extracting Actionable Insights for Medicinal Chemistry
by: S, Amirtha Varshini A, et al.
Published: (2025)

Implementation of The Future of Drug Discovery: QuantumBased Machine Learning Simulation (QMLS)
by: Zhou, Yifan, et al.
Published: (2023)

Structure-Aware Contrastive Learning with Fine-Grained Binding Representations for Drug Discovery
by: Lan, Jing, et al.
Published: (2025)

SE(3)-Equivariant Ternary Complex Prediction Towards Target Protein Degradation
by: Xue, Fanglei, et al.
Published: (2025)

Bridging Quantum and Classical Computing in Drug Design: Architecture Principles for Improved Molecule Generation
by: Smith, Andrew, et al.
Published: (2025)

DrugPlayGround: Benchmarking Large Language Models and Embeddings for Drug Discovery
by: Liu, Tianyu, et al.
Published: (2026)

A Survey of Generative AI for de novo Drug Design: New Frontiers in Molecule and Protein Generation
by: Tang, Xiangru, et al.
Published: (2024)

ActivityDiff: A diffusion model with Positive and Negative Activity Guidance for De Novo Drug Design
by: Zhou, Renyi, et al.
Published: (2025)