Image de couverture de livre

When Does Context Help? A Systematic Study of Target-Conditional Molecular Property Prediction

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Cheng, Bryan, Zhang, Jasper
Format:	Preprint
Publié:	2026
Sujets:	Machine Learning Biomolecules Molecular Networks
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry
par: Wang, Zeyu, et autres
Publié: (2024)

ProLLM: Protein Chain-of-Thoughts Enhanced LLM for Protein-Protein Interaction Prediction
par: Jin, Mingyu, et autres
Publié: (2024)

GFlowNets for Learning Better Drug-Drug Interaction Representations
par: Wasi, Azmine Toushik
Publié: (2025)

Reading the Cell, Designing the Cure: Perturbation-Conditioned Molecular Diffusion for Function-Oriented Drug Design
par: Xu, Ziyu, et autres
Publié: (2026)

PRING: Rethinking Protein-Protein Interaction Prediction from Pairs to Graphs
par: Zheng, Xinzhe, et autres
Publié: (2025)

CADGL: Context-Aware Deep Graph Learning for Predicting Drug-Drug Interactions
par: Wasi, Azmine Toushik, et autres
Publié: (2024)

Pesti-Gen: Unleashing a Generative Molecule Approach for Toxicity Aware Pesticide Design
par: Kim, Taehan, et autres
Publié: (2025)

Investigating Knowledge Distillation Through Neural Networks for Protein Binding Affinity Prediction
par: Abbasi, Wajid Arshad, et autres
Publié: (2026)

Graph Representation Learning in Biomedicine
par: Li, Michelle M., et autres
Publié: (2021)

Relief of EGFR/FOS-downregulated miR-103a by loganin alleviates NF-kappaB-triggered inflammation and gut barrier disruption in colitis
par: Li, Yan, et autres
Publié: (2025)

ProCaliper: functional and structural analysis, visualization, and annotation of proteins
par: Rozum, Jordan C., et autres
Publié: (2025)

Design of DNA Strand Displacement Reactions
par: Jurinović, Križan, et autres
Publié: (2025)

Variant effects on protein-protein interactions: methods, models and diseases
par: Larsen-Ledet, Sven, et autres
Publié: (2025)

Multi-variable control to mitigate loads in CRISPRa networks: Extended Version
par: Manoj, Krishna, et autres
Publié: (2024)

Competition for binding targets results in paradoxical effects for simultaneous activator and repressor action -- Extended Version
par: Al-Radhawi, M. Ali, et autres
Publié: (2024)

The Protective Effects of the Ethyl Acetate Part of Er Miao San on Adjuvant Arthritis Rats by Regulating the Function of Bone Marrow-Derived Dendritic Cells
par: Ding, Jie-Min, et autres
Publié: (2025)

Graph Representation Learning Strategies for Omics Data: A Case Study on Parkinson's Disease
par: de Lope, Elisa Gómez, et autres
Publié: (2024)

MetaboKG: An Analysis-centric Knowledge Graph Framework for Untargeted Metabolomics
par: Féraud, Matthieu, et autres
Publié: (2026)

The optimization of crop response to climatic stress through modulation of plant stress response mechanisms. Opportunities for biostimulants and plant hormones to meet climate challenges
par: Li, Jing, et autres
Publié: (2025)

Information-Theoretic Requirements for Gradient-Based Task Affinity Estimation in Multi-Task Learning
par: Zhang, Jasper, et autres
Publié: (2026)

DeepRetro: Retrosynthetic Pathway Discovery using Iterative LLM Reasoning
par: Sathyanarayana, Shreyas Vinaya, et autres
Publié: (2025)

Single-Cell Proteomic Technologies: Tools in the quest for principles
par: Slavov, Nikolai
Publié: (2025)

DeepAutoPIN: An automorphism orbits based deep neural network for characterizing the organizational diversity of protein interactomes across the tree of life
par: Singh, Vikram, et autres
Publié: (2022)

Thermodynamic free energy map for the non-oxidative glycolysis pathways
par: Pal, Adittya
Publié: (2025)

Selective advantage of aerobic glycolysis over oxidative phosphorylation
par: Vazquez, Alexei
Publié: (2024)

Learning Hierarchical Interaction for Accurate Molecular Property Prediction
par: Hong, Huiyang, et autres
Publié: (2025)

Elemental Stoichiometry as an Ecological Biosignature with Applications to Life Detection
par: Vergeli, Pilar C., et autres
Publié: (2026)

Towards Faster and More Compact Foundation Models for Molecular Property Prediction
par: Ghunaim, Yasir, et autres
Publié: (2025)

3D-Mol: A Novel Contrastive Learning Framework for Molecular Property Prediction with 3D Information
par: Kuang, Taojie, et autres
Publié: (2023)

Investigating Graph Neural Networks and Classical Feature-Extraction Techniques in Activity-Cliff and Molecular Property Prediction
par: Dablander, Markus
Publié: (2024)

Unified Guidance for Geometry-Conditioned Molecular Generation
par: Ayadi, Sirine, et autres
Publié: (2025)

Corrected Hill Function in Stochastic Gene Regulatory Networks
par: Hernández-García, Manuel Eduardo, et autres
Publié: (2023)

Enlightening the blind spot of the Michaelis-Menten rate law: The role of relaxation dynamics in molecular complex formation
par: Chae, Junghun, et autres
Publié: (2024)

Examining the Link Between Peroxiredoxin Proteins and Mutually Exclusive Transcription Factor Activation With a Mathematical Model
par: Schlamowitz, Zachary, et autres
Publié: (2024)

MoRSAIK: Sequence Motif Reactor Simulation, Analysis and Inference Kit in Python
par: Harth-Kitzerow, Johannes, et autres
Publié: (2025)

Relaxation to statistical equilibrium in stochastic Michaelis-Menten kinetics
par: Pal, Subham, et autres
Publié: (2021)

A Cross-Field Fusion Strategy for Drug-Target Interaction Prediction
par: Zhang, Hongzhi, et autres
Publié: (2024)

Graph Diffusion Transformers for Multi-Conditional Molecular Generation
par: Liu, Gang, et autres
Publié: (2024)

Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design
par: Klarner, Leo, et autres
Publié: (2024)

Any-Property-Conditional Molecule Generation with Self-Criticism using Spanning Trees
par: Jolicoeur-Martineau, Alexia, et autres
Publié: (2024)