Why is "Molecular graph" trending?

Search Interest Perspective

• QSPR modeling of physicochemical properties of SSRI and SNRI antidepressants using advanced molecular graph descriptors - Nature
• Atom-level Adaptive Receptive Fields: A Pruning-Based Encoder for 2D Molecular Graphs (Student Abstract) - The Association for the Advancement of Artificial Intelligence
• MoleculeFormer is a GCN-transformer architecture for molecular property prediction | Communications Biology - Nature
• A Topology-Enhanced Multi-Viewed Contrastive Approach for Molecular Graph Representation Learning and Classification - Wiley Online Library
• Molecular merged hypergraph neural network for explainable solvation Gibbs free energy prediction - EurekAlert!
• Context-Aware Safe Medication Recommendations with Molecular Graph and DDI Graph Embedding - The Association for the Advancement of Artificial Intelligence
• FastFlows: Flow-Based Models for Molecular Graph Generation - Towards Data Science
• GraphEGFR: Multi‐task and transfer learning based on molecular graph attention mechanism and fingerprints improving inhibitor bioactivity prediction for EGFR family proteins on data scarcity - Wiley Online Library
• Enhancing property and activity prediction and interpretation using multiple molecular graph representations with MMGX - Nature
• Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation - The Association for the Advancement of Artificial Intelligence
• Anti-Symmetric Molecular Graph Learning Approach With Residual Adaptive Network Based Fuzzy Inference System for Lethal Dose Forecasting Problem - Wiley Online Library
• Retrosynthesis prediction using an end-to-end graph generative architecture for molecular graph editing - Nature
• Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling in Drug Discovery - The Association for the Advancement of Artificial Intelligence
• Hierarchical Molecular Graph Self-Supervised Learning for property prediction - Nature
• Advancing Retrosynthesis with Retrieval-Augmented Graph Generation - The Association for the Advancement of Artificial Intelligence
• Performance and robustness of small molecule retention time prediction with molecular graph neural networks in industrial drug discovery campaigns - Nature
• Molecular Contrastive Learning with Chemical Element Knowledge Graph - The Association for the Advancement of Artificial Intelligence
• Kolmogorov–Arnold graph neural networks for molecular property prediction - Nature
• MolE: a foundation model for molecular graphs using disentangled attention - Nature
• Recent advances in molecular representation methods and their applications in scaffold hopping - Nature
• Knowledge graph-enhanced molecular contrastive learning with functional prompt - Nature