Copertina

LINKER: Learning Interactions Between Functional Groups and Residues With Chemical Knowledge-Enhanced Reasoning and Explainability

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Pham, Phuc, Nguyen, Viet Thanh Duy, Hy, Truong-Son
Natura:	Preprint
Pubblicazione:	2025
Soggetti:	Machine Learning Quantitative Methods
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

GROOT: Effective Design of Biological Sequences with Limited Experimental Data
di: Tran, Thanh V. T., et al.
Pubblicazione: (2024)

Binary Latent Protein Fitness Landscapes for Quantum Annealing Optimization
di: Hy, Truong-Son
Pubblicazione: (2026)

FARM: Enhancing Molecular Representations with Functional Group Awareness
di: Nguyen, Thao, et al.
Pubblicazione: (2024)

Advances in Protein Representation Learning: Methods, Applications, and Future Directions
di: Nguyen, Viet Thanh Duy, et al.
Pubblicazione: (2025)

Explainable Deep Learning Framework for SERS Bio-quantification
di: Zaki, Jihan K., et al.
Pubblicazione: (2024)

High-dimensional Many-to-many-to-many Mediation Analysis
di: Nguyen, Tien Dat, et al.
Pubblicazione: (2026)

Dual-Pathway Fusion of EHRs and Knowledge Graphs for Predicting Unseen Drug-Drug Interactions
di: Lee, Franklin, et al.
Pubblicazione: (2025)

Understanding protein function with a multimodal retrieval-augmented foundation model
di: Truong Jr, Timothy Fei, et al.
Pubblicazione: (2025)

PoET: A generative model of protein families as sequences-of-sequences
di: Truong Jr, Timothy F., et al.
Pubblicazione: (2023)

Group Contrastive Learning for Weakly Paired Multimodal Data
di: Gorla, Aditya, et al.
Pubblicazione: (2026)

Graph Residual based Method for Molecular Property Prediction
di: Sen, Kanad, et al.
Pubblicazione: (2024)

XAI-Driven Deep Learning for Protein Sequence Functional Group Classification
di: Chakraborty, Pratik, et al.
Pubblicazione: (2025)

Multi-Modality Representation Learning for Antibody-Antigen Interactions Prediction
di: Guo, Peijin, et al.
Pubblicazione: (2025)

EquiCPI: SE(3)-Equivariant Geometric Deep Learning for Structure-Aware Prediction of Compound-Protein Interactions
di: Nguyen, Ngoc-Quang
Pubblicazione: (2025)

Zero-Shot Learning with Subsequence Reordering Pretraining for Compound-Protein Interaction
di: Zhang, Hongzhi, et al.
Pubblicazione: (2025)

A Graph-in-Graph Learning Framework for Drug-Target Interaction Prediction
di: Song, Yuehua, et al.
Pubblicazione: (2025)

Bi-level Contrastive Learning for Knowledge-Enhanced Molecule Representations
di: Jiang, Pengcheng, et al.
Pubblicazione: (2023)

Drug-Target Interaction/Affinity Prediction: Deep Learning Models and Advances Review
di: Vefghi, Ali, et al.
Pubblicazione: (2025)

Bayesian Comparisons Between Representations
di: Schütt, Heiko H.
Pubblicazione: (2024)

HiGraphDTI: Hierarchical Graph Representation Learning for Drug-Target Interaction Prediction
di: Liu, Bin, et al.
Pubblicazione: (2024)

Transformer-Based Multi-Modal Temporal Embeddings for Explainable Metabolic Phenotyping in Type 1 Diabetes
di: Khokhar, Pir Bakhsh, et al.
Pubblicazione: (2026)

Domain-Adversarial Neural Network and Explainable AI for Reducing Tissue-of-Origin Signal in Pan-cancer Mortality Classification
di: Padron-Manrique, Cristian, et al.
Pubblicazione: (2025)

MIN: Multi-channel Interaction Network for Drug-Target Interaction with Protein Distillation
di: Li, Shuqi, et al.
Pubblicazione: (2024)

ProteinZero: Self-Improving Protein Generation via Online Reinforcement Learning
di: Wang, Ziwen, et al.
Pubblicazione: (2025)

FGBench: A Dataset and Benchmark for Molecular Property Reasoning at Functional Group-Level in Large Language Models
di: Liu, Xuan, et al.
Pubblicazione: (2025)

What Molecular Structure Cannot Tell Us: A Taxonomy of Explainability Gaps in GNN-Based Drug Toxicity Prediction
di: Dietrich, Juergen
Pubblicazione: (2026)

Precision Cancer Classification and Biomarker Identification from mRNA Gene Expression via Dimensionality Reduction and Explainable AI
di: Tabassum, Farzana, et al.
Pubblicazione: (2024)

ProDock: From multi-target consensus docking into database-backed storage
di: Phan, Tieu-Long, et al.
Pubblicazione: (2026)

A Self-feedback Knowledge Elicitation Approach for Chemical Reaction Predictions
di: Liu, Pengfei, et al.
Pubblicazione: (2024)

Predicting Drug Solubility Using Different Machine Learning Methods -- Linear Regression Model with Extracted Chemical Features vs Graph Convolutional Neural Network
di: Ho, John, et al.
Pubblicazione: (2023)

DANCE: Deep Learning-Assisted Analysis of Protein Sequences Using Chaos Enhanced Kaleidoscopic Images
di: Murad, Taslim, et al.
Pubblicazione: (2024)

Hypergraph: A Unified and Uniform Definition with Application to Chemical Hypergraph and More
di: Chang, Daniel T.
Pubblicazione: (2024)

SMILES-Mamba: Chemical Mamba Foundation Models for Drug ADMET Prediction
di: Xu, Bohao, et al.
Pubblicazione: (2024)

FAFE: Immune Complex Modeling with Geodesic Distance Loss on Noisy Group Frames
di: Wu, Ruidong, et al.
Pubblicazione: (2024)

Learning Explainable Imaging-Genetics Associations Related to a Neurological Disorder
di: Wang, Jueqi, et al.
Pubblicazione: (2025)

Molecular Odor Prediction with Harmonic Modulated Feature Mapping and Chemically-Informed Loss
di: Xie, HongXin, et al.
Pubblicazione: (2025)

Synthesizable Molecular Generation via Soft-constrained GFlowNets with Rich Chemical Priors
di: Kim, Hyeonah, et al.
Pubblicazione: (2026)

How Well Do Large-Scale Chemical Language Models Transfer to Downstream Tasks?
di: Sagawa, Tatsuya, et al.
Pubblicazione: (2026)

Multimodal Contrastive Representation Learning in Augmented Biomedical Knowledge Graphs
di: Dang, Tien, et al.
Pubblicazione: (2025)

Drug Interaction Vectors Neural Network: DrIVeNN
di: Wang, Natalie, et al.
Pubblicazione: (2023)