HiRes: Inspectable Precedent Memory for Reaction Condition Recommendation
Fuente:
arXiv
Enregistré dans:
| Auteurs principaux: | Sathyanarayana, Shreyas Vinaya, Pappala, Raja Sekhar, Warrier, Deepak |
|---|---|
| Format: | Preprint |
| Publié: |
2026
|
| Sujets: | |
| Accès en ligne: | |
| Tags: |
Ajouter un tag
Pas de tags, Soyez le premier à ajouter un tag!
|
Documents similaires
Chem-GMNet: A Sphere-Native Geometric Transformer for Molecular Property Prediction
par: Warrier, Deepak, et autres
Publié: (2026)
par: Warrier, Deepak, et autres
Publié: (2026)
DeepRetro: Retrosynthetic Pathway Discovery using Iterative LLM Reasoning
par: Sathyanarayana, Shreyas Vinaya, et autres
Publié: (2025)
par: Sathyanarayana, Shreyas Vinaya, et autres
Publié: (2025)
ResMGCN: Residual Message Graph Convolution Network for Fast Biomedical Interactions Discovering
par: Yin, Zecheng
Publié: (2023)
par: Yin, Zecheng
Publié: (2023)
RAG-GNN: Integrating Retrieved Knowledge with Graph Neural Networks for Precision Medicine
par: Hays, Hasi, et autres
Publié: (2026)
par: Hays, Hasi, et autres
Publié: (2026)
Graph neural network explanations reveal a topological signature of disease-associated hubs in biological networks
par: Higgins, Kyle, et autres
Publié: (2026)
par: Higgins, Kyle, et autres
Publié: (2026)
Bidirectional Hierarchical Protein Multi-Modal Representation Learning
par: Liu, Xuefeng, et autres
Publié: (2025)
par: Liu, Xuefeng, et autres
Publié: (2025)
Learning to Align Molecules and Proteins: A Geometry-Aware Approach to Binding Affinity
par: Refahi, Mohammadsaleh, et autres
Publié: (2025)
par: Refahi, Mohammadsaleh, et autres
Publié: (2025)
Regressor-free Molecule Generation to Support Drug Response Prediction
par: Li, Kun, et autres
Publié: (2024)
par: Li, Kun, et autres
Publié: (2024)
Towards Interpretable Drug-Drug Interaction Prediction: A Graph-Based Approach with Molecular and Network-Level Explanations
par: Chen, Mengjie, et autres
Publié: (2025)
par: Chen, Mengjie, et autres
Publié: (2025)
HODDI: A Dataset of High-Order Drug-Drug Interactions for Computational Pharmacovigilance
par: Wang, Zhaoying, et autres
Publié: (2025)
par: Wang, Zhaoying, et autres
Publié: (2025)
Boolean matrix logic programming for active learning of gene functions in genome-scale metabolic network models
par: Ai, Lun, et autres
Publié: (2024)
par: Ai, Lun, et autres
Publié: (2024)
Adaptive Data-Knowledge Alignment in Genetic Perturbation Prediction
par: Xiang, Yuanfang, et autres
Publié: (2025)
par: Xiang, Yuanfang, et autres
Publié: (2025)
Graph Neural Network-Based Reinforcement Learning for Controlling Biological Networks - the GATTACA Framework
par: Mizera, Andrzej, et autres
Publié: (2025)
par: Mizera, Andrzej, et autres
Publié: (2025)
LLaMo: Large Language Model-based Molecular Graph Assistant
par: Park, Jinyoung, et autres
Publié: (2024)
par: Park, Jinyoung, et autres
Publié: (2024)
Pin-Tuning: Parameter-Efficient In-Context Tuning for Few-Shot Molecular Property Prediction
par: Wang, Liang, et autres
Publié: (2024)
par: Wang, Liang, et autres
Publié: (2024)
Reading the Cell, Designing the Cure: Perturbation-Conditioned Molecular Diffusion for Function-Oriented Drug Design
par: Xu, Ziyu, et autres
Publié: (2026)
par: Xu, Ziyu, et autres
Publié: (2026)
PRING: Rethinking Protein-Protein Interaction Prediction from Pairs to Graphs
par: Zheng, Xinzhe, et autres
Publié: (2025)
par: Zheng, Xinzhe, et autres
Publié: (2025)
Pesti-Gen: Unleashing a Generative Molecule Approach for Toxicity Aware Pesticide Design
par: Kim, Taehan, et autres
Publié: (2025)
par: Kim, Taehan, et autres
Publié: (2025)
PACER: Acyclic Causal Discovery from Large-Scale Interventional Data
par: Torné, Ramon Viñas, et autres
Publié: (2026)
par: Torné, Ramon Viñas, et autres
Publié: (2026)
Deep Reinforcement Learning for Controlled Traversing of the Attractor Landscape of Boolean Models in the Context of Cellular Reprogramming
par: Mizera, Andrzej, et autres
Publié: (2024)
par: Mizera, Andrzej, et autres
Publié: (2024)
Active learning of digenic functions with boolean matrix logic programming
par: Ai, Lun, et autres
Publié: (2024)
par: Ai, Lun, et autres
Publié: (2024)
Unveiling Molecular Moieties through Hierarchical Grad-CAM Graph Explainability
par: Contino, Salvatore, et autres
Publié: (2024)
par: Contino, Salvatore, et autres
Publié: (2024)
Protect$^*$: Steerable Retrosynthesis through Neuro-Symbolic State Encoding
par: Sathyanarayana, Shreyas Vinaya, et autres
Publié: (2026)
par: Sathyanarayana, Shreyas Vinaya, et autres
Publié: (2026)
Investigating Knowledge Distillation Through Neural Networks for Protein Binding Affinity Prediction
par: Abbasi, Wajid Arshad, et autres
Publié: (2026)
par: Abbasi, Wajid Arshad, et autres
Publié: (2026)
CADGL: Context-Aware Deep Graph Learning for Predicting Drug-Drug Interactions
par: Wasi, Azmine Toushik, et autres
Publié: (2024)
par: Wasi, Azmine Toushik, et autres
Publié: (2024)
Adjoint Sensitivity Analysis on Multi-Scale Bioprocess Stochastic Reaction Network
par: Choy, Keilung, et autres
Publié: (2024)
par: Choy, Keilung, et autres
Publié: (2024)
Modelling Chemical Reaction Networks using Neural Ordinary Differential Equations
par: Thöni, Anna C. M., et autres
Publié: (2025)
par: Thöni, Anna C. M., et autres
Publié: (2025)
GenAI-Net: A Generative AI Framework for Automated Biomolecular Network Design
par: Filo, Maurice, et autres
Publié: (2026)
par: Filo, Maurice, et autres
Publié: (2026)
Inference of dynamical gene regulatory networks from single-cell data with physics informed neural networks
par: Mircea, Maria, et autres
Publié: (2024)
par: Mircea, Maria, et autres
Publié: (2024)
Doloris: Dual Conditional Diffusion Implicit Bridges with Sparsity Masking Strategy for Unpaired Single-Cell Perturbation Estimation
par: Chi, Changxi, et autres
Publié: (2025)
par: Chi, Changxi, et autres
Publié: (2025)
AdaptMol: Adaptive Fusion from Sequence String to Topological Structure for Few-shot Drug Discovery
par: Dai, Yifan, et autres
Publié: (2025)
par: Dai, Yifan, 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)
par: de Lope, Elisa Gómez, et autres
Publié: (2024)
Benchmarking Constraint-Based Bayesian Structure Learning Algorithms: Role of Network Topology
par: Nagarajan, Radha, et autres
Publié: (2025)
par: Nagarajan, Radha, et autres
Publié: (2025)
When Does Context Help? A Systematic Study of Target-Conditional Molecular Property Prediction
par: Cheng, Bryan, et autres
Publié: (2026)
par: Cheng, Bryan, et autres
Publié: (2026)
DiffSpectra: Molecular Structure Elucidation from Spectra using Diffusion Models
par: Wang, Liang, et autres
Publié: (2025)
par: Wang, Liang, et autres
Publié: (2025)
Biological Regulatory Network Inference through Circular Causal Structure Learning
par: Jiang, Hongyang, et autres
Publié: (2025)
par: Jiang, Hongyang, et autres
Publié: (2025)
Gene regulatory network inference algorithm based on spectral signed directed graph convolution
par: Xi, Rijie, et autres
Publié: (2025)
par: Xi, Rijie, et autres
Publié: (2025)
A generalizable framework for unlocking missing reactions in genome-scale metabolic networks using deep learning
par: Liu, Xiaoyi, et autres
Publié: (2024)
par: Liu, Xiaoyi, et autres
Publié: (2024)
Interpretable Neural Approximation of Stochastic Reaction Dynamics with Guaranteed Reliability
par: Badolle, Quentin, et autres
Publié: (2025)
par: Badolle, Quentin, et autres
Publié: (2025)
TwinPurify: Purifying gene expression data to reveal tumor-intrinsic transcriptional programs via self-supervised learning
par: Zheng, Zhiwei, et autres
Publié: (2026)
par: Zheng, Zhiwei, et autres
Publié: (2026)
Documents similaires
-
Chem-GMNet: A Sphere-Native Geometric Transformer for Molecular Property Prediction
par: Warrier, Deepak, et autres
Publié: (2026) -
DeepRetro: Retrosynthetic Pathway Discovery using Iterative LLM Reasoning
par: Sathyanarayana, Shreyas Vinaya, et autres
Publié: (2025) -
ResMGCN: Residual Message Graph Convolution Network for Fast Biomedical Interactions Discovering
par: Yin, Zecheng
Publié: (2023) -
RAG-GNN: Integrating Retrieved Knowledge with Graph Neural Networks for Precision Medicine
par: Hays, Hasi, et autres
Publié: (2026) -
Graph neural network explanations reveal a topological signature of disease-associated hubs in biological networks
par: Higgins, Kyle, et autres
Publié: (2026)