drug discovery

A Sequence-Graph Fusion Framework via BiMamba and Fourier-KAN for Interpretable Drug-Target Affinity Prediction UAI 2026 BiGMINT: Biologically-guided Hierarchical Multimodal Integration for Modeling Multiple Compound Activities in Drug Discovery CVPR 2026 Distributional Priors Guided Diffusion for Generating 3D Molecules in Low Data Regimes AAAI 2026 Expert-Inspired Multi-Agent Coordination for Multi-Objective Molecular Optimization AAAI 2026 FuseMine: Robust Multi-Modal Compound-Protein Interaction Prediction via Differential Attention Feature Mining AAAI 2026 Hierarchical Structure-Property Alignment for Data-Efficient Molecular Generation and Editing AAAI 2026 Intervention-Aware Multiscale Representation Learning from Imaging Phenomics and Perturbation Transcriptomics CVPR 2026 LLM-Based Agent for Competitive Landscape Mapping in Drug Asset Due Diligence AAAI 2026 Machine Learning Models Assisting the Development of Antibody Therapeutics and Vaccines – an Emerging Trend AAAI 2026 MolMem: Memory-Augmented Agentic Reinforcement Learning for Sample-Efficient Molecular Optimization ACL 2026 PepCCD: A Contrastive Conditioned Diffusion Framework for Target-Specific Peptide Generation AAAI 2026 PharmaQA: Prompt-Based Molecular Representation Learning via Pharmacophore-Oriented Question Answering AAAI 2026 RAG-Enhanced Collaborative LLM Agents for Drug Discovery AAAI 2026 RAGPPI: Retrieval-Augmented Generation Benchmark for Protein–Protein Interactions in Drug Discovery EACL 2026 S²Drug: Bridging Protein Sequence and 3D Structure in Contrastive Representation Learning for Virtual Screening AAAI 2026 Sequence-Free for Compound Protein Interaction Prediction AAAI 2026 3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery ICLR 2025 Accelerating Antibiotic Discovery with Large Language Models and Knowledge Graphs ACL 2025 AgentDrug: Utilizing Large Language Models in an Agentic Workflow for Zero-Shot Molecular Optimization EMNLP 2025 Assay2Mol: Large Language Model-based Drug Design Using BioAssay Context EMNLP 2025 Automatic Annotation Augmentation Boosts Translation between Molecules and Natural Language NAACL 2025 Bridging the Gap between Learning and Inference for Diffusion-Based Molecule Generation ACML 2025 DrugHash: Hashing Based Contrastive Learning for Virtual Screening AAAI 2025 Efficient Biological Data Acquisition through Inference Set Design ICLR 2025 Enhancing Chemical Reaction and Retrosynthesis Prediction with Large Language Model and Dual-task Learning IJCAI 2025