Saved in:
| Main Author: | Dietrich, Juergen |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2605.26183 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
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)
KA-GNN: Kolmogorov-Arnold Graph Neural Networks for Molecular Property Prediction
by: Li, Longlong, et al.
Published: (2024)
by: Li, Longlong, et al.
Published: (2024)
Exploring Molecular Odor Taxonomies for Structure-based Odor Predictions using Machine Learning
by: Sajan, Akshay, et al.
Published: (2025)
by: Sajan, Akshay, et al.
Published: (2025)
Enhancing Drug Discovery: Autoencoder-Based Latent Space Augmentation for Improved Molecular Solubility Prediction using LatMixSol
by: Hasankhani, Mohammad Saleh
Published: (2025)
by: Hasankhani, Mohammad Saleh
Published: (2025)
Equivariant Denoisers Cannot Copy Graphs: Align Your Graph Diffusion Models
by: Laabid, Najwa, et al.
Published: (2024)
by: Laabid, Najwa, et al.
Published: (2024)
Explainable Brain Age Gap Prediction in Neurodegenerative Conditions using coVariance Neural Networks
by: Sihag, Saurabh, et al.
Published: (2025)
by: Sihag, Saurabh, et al.
Published: (2025)
Do Larger Models Really Win in Drug Discovery? A Benchmark Assessment of Model Scaling in AI-Driven Molecular Property and Activity Prediction
by: Guo, Jinjiang
Published: (2026)
by: Guo, Jinjiang
Published: (2026)
Dual-Pathway Fusion of EHRs and Knowledge Graphs for Predicting Unseen Drug-Drug Interactions
by: Lee, Franklin, et al.
Published: (2025)
by: Lee, Franklin, et al.
Published: (2025)
Molecular Odor Prediction Based on Multi-Feature Graph Attention Networks
by: Xie, HongXin, et al.
Published: (2025)
by: Xie, HongXin, et al.
Published: (2025)
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)
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)
scPPDM: A Diffusion Model for Single-Cell Drug-Response Prediction
by: Liang, Zhaokang, et al.
Published: (2025)
by: Liang, Zhaokang, et al.
Published: (2025)
Predicting Side Effect of Drug Molecules using Recurrent Neural Networks
by: Beaudoin, Collin, et al.
Published: (2023)
by: Beaudoin, Collin, et al.
Published: (2023)
SMILES-Mamba: Chemical Mamba Foundation Models for Drug ADMET Prediction
by: Xu, Bohao, et al.
Published: (2024)
by: Xu, Bohao, et al.
Published: (2024)
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)
Graph-Theoretic Models for the Prediction of Molecular Measurements
by: Niane, Anna, et al.
Published: (2026)
by: Niane, Anna, et al.
Published: (2026)
Align Your Structures: Generating Trajectories with Structure Pretraining for Molecular Dynamics
by: Iyengar, Aniketh, et al.
Published: (2026)
by: Iyengar, Aniketh, et al.
Published: (2026)
Can Molecular Foundation Models Know What They Don't Know? A Simple Remedy with Preference Optimization
by: He, Langzhou, et al.
Published: (2025)
by: He, Langzhou, et al.
Published: (2025)
Learning to Extend Molecular Scaffolds with Structural Motifs
by: Maziarz, Krzysztof, et al.
Published: (2021)
by: Maziarz, Krzysztof, et al.
Published: (2021)
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)
Dual-Modality Representation Learning for Molecular Property Prediction
by: Zhao, Anyin, et al.
Published: (2025)
by: Zhao, Anyin, et al.
Published: (2025)
Graph Residual based Method for Molecular Property Prediction
by: Sen, Kanad, et al.
Published: (2024)
by: Sen, Kanad, et al.
Published: (2024)
HiGraphDTI: Hierarchical Graph Representation Learning for Drug-Target Interaction Prediction
by: Liu, Bin, et al.
Published: (2024)
by: Liu, Bin, et al.
Published: (2024)
Chem-GMNet: A Sphere-Native Geometric Transformer for Molecular Property Prediction
by: Warrier, Deepak, et al.
Published: (2026)
by: Warrier, Deepak, et al.
Published: (2026)
Multi-scale Graph Autoregressive Modeling: Molecular Property Prediction via Next Token Prediction
by: Jiang, Zhuoyang, et al.
Published: (2026)
by: Jiang, Zhuoyang, et al.
Published: (2026)
DPASyn: Mechanism-Aware Drug Synergy Prediction via Dual Attention and Precision-Aware Quantization
by: Nie, Yuxuan, et al.
Published: (2025)
by: Nie, Yuxuan, et al.
Published: (2025)
Explainable Deep Learning Framework for SERS Bio-quantification
by: Zaki, Jihan K., et al.
Published: (2024)
by: Zaki, Jihan K., 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)
XIMP: Cross Graph Inter-Message Passing for Molecular Property Prediction
by: Ehrlich, Anatol, et al.
Published: (2026)
by: Ehrlich, Anatol, et al.
Published: (2026)
A Morse Transform for Drug Discovery
by: Tanaka, Alexander M., et al.
Published: (2025)
by: Tanaka, Alexander M., et al.
Published: (2025)
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)
Transformer-Based Multi-Modal Temporal Embeddings for Explainable Metabolic Phenotyping in Type 1 Diabetes
by: Khokhar, Pir Bakhsh, et al.
Published: (2026)
by: Khokhar, Pir Bakhsh, et al.
Published: (2026)
Molecular Odor Prediction with Harmonic Modulated Feature Mapping and Chemically-Informed Loss
by: Xie, HongXin, et al.
Published: (2025)
by: Xie, HongXin, et al.
Published: (2025)
scDrugMap: Benchmarking Large Foundation Models for Drug Response Prediction
by: Wang, Qing, et al.
Published: (2025)
by: Wang, Qing, et al.
Published: (2025)
Flow-Matching Based Refiner for Molecular Conformer Generation
by: Xu, Xiangyang, et al.
Published: (2025)
by: Xu, Xiangyang, et al.
Published: (2025)
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)
Benchmark on Drug Target Interaction Modeling from a Drug Structure Perspective
by: Zhang, Xinnan, et al.
Published: (2024)
by: Zhang, Xinnan, 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)
Molecular Embedding-Based Algorithm Selection in Protein-Ligand Docking
by: Wang, Jiabao Brad, et al.
Published: (2025)
by: Wang, Jiabao Brad, et al.
Published: (2025)
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)
Similar Items
-
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) -
KA-GNN: Kolmogorov-Arnold Graph Neural Networks for Molecular Property Prediction
by: Li, Longlong, et al.
Published: (2024) -
Exploring Molecular Odor Taxonomies for Structure-based Odor Predictions using Machine Learning
by: Sajan, Akshay, et al.
Published: (2025) -
Enhancing Drug Discovery: Autoencoder-Based Latent Space Augmentation for Improved Molecular Solubility Prediction using LatMixSol
by: Hasankhani, Mohammad Saleh
Published: (2025) -
Equivariant Denoisers Cannot Copy Graphs: Align Your Graph Diffusion Models
by: Laabid, Najwa, et al.
Published: (2024)