药物发现论文趋势 2023–2026

主要结论

• 药物发现论文从 2023 年的 79 篇增长到 2026 年的 211 篇，三年间扩大到约 2.7 倍。
• NeurIPS 是发药物发现论文最多的会议，2023–2026 年共 234 篇，占四个会议总量的 40%。
• 交叉方向里涨得最快的是应用 · chemistry physics and earth sciences：同时属于两个主题的论文从 2023 年的 1 篇增至 2026 年的 42 篇。
• 在「健康与生命科学」的 5 个主题里，它的 2026 年论文数排第 2；同组增长最快的临床 NLP是 3.2 倍，药物发现是 2.7 倍。

代表论文

按年份和会议均匀挑选，方便快速看到每一届的样貌

• NeurIPS 2026ACER: Towards Generalizable Protein-ligand Co-folding
• ICML 2026Adaptive Symmetry Discovery for Dynamical System Identification
• ICLR 2026Bures Generalized Category Discovery
• CVPR 2026Learning Like Humans Analogical Concept Learning for Generalized Category Discovery
• NeurIPS 2025AANet: Virtual Screening under Structural Uncertainty via Alignment and Aggregation
• ICML 2025Explicit Discovery of Nonlinear Symmetries from Dynamic Data
• ICLR 2025CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph
• CVPR 2025Adaptive Part Learning for Fine-Grained Generalized Category Discovery: A Plug-and-Play Enhancement
• NeurIPS 2024A SARS-CoV-2 Interaction Dataset and VHH Sequence Corpus for Antibody Language Models
• ICML 2024Amortized Equation Discovery in Hybrid Dynamical Systems
• ICLR 2024Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment
• CVPR 2024Federated Generalized Category Discovery
• NeurIPS 2023An Optimization-based Approach To Node Role Discovery in Networks: Approximating Equitable Partitions
• ICML 2023A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining
• ICLR 2023Context-enriched molecule representations improve few-shot drug discovery
• CVPR 2023Bootstrap Your Own Prior: Towards Distribution-Agnostic Novel Class Discovery
• NeurIPS 2026Active Flow Expansion for Out-of-Distribution Discovery: from Theory to Molecules
• ICML 2026CURE: Consistency-under-Unified Semantic Regularization for Generalized Category Discovery
• ICLR 2026Exploring Synthesizable Chemical Space with Iterative Pathway Refinements
• CVPR 2026TAR Token-Aware Refinement for Fine-grained Generalized Category Discovery

全部药物发现论文

共 163 篇，第 3 / 4 页

101. NeurIPS 2025AANet: Virtual Screening under Structural Uncertainty via Alignment and Aggregation
102. NeurIPS 2025Accelerating 3D Molecule Generative Models with Trajectory Diagnosis
103. NeurIPS 2025Accurately Predicting Protein Mutational Effects via a Hierarchical Many-Body Attention Network
104. NeurIPS 2025Active Target Discovery under Uninformative Priors: The Power of Permanent and Transient Memory
105. NeurIPS 2025AlphaFold Database Debiasing for Robust Inverse Folding
106. NeurIPS 2025Ambient Proteins - Training Diffusion Models on Noisy Structures
107. NeurIPS 2025An Efficient Local Search Approach for Polarized Community Discovery in Signed Networks
108. NeurIPS 2025AutoSciDACT: Automated Scientific Discovery through Contrastive Embedding and Hypothesis Testing
109. NeurIPS 2025BioCG: Constrained Generative Modeling for Biochemical Interaction Prediction
110. NeurIPS 2025Causal Mixture Models: Characterization and Discovery
111. NeurIPS 2025CausalDynamics: A large‐scale benchmark for structural discovery of dynamical causal models
112. NeurIPS 2025CIDD: Collaborative Intelligence for Structure-Based Drug Design Empowered by LLMs
113. NeurIPS 2025Consistent Supervised-Unsupervised Alignment for Generalized Category Discovery
114. NeurIPS 2025Controllable 3D Molecular Generation for Structure-Based Drug Design Through Bayesian Flow Networks and Gradient Integration
115. NeurIPS 2025Covering Multiple Objectives with a Small Set of Solutions Using Bayesian Optimization
116. NeurIPS 2025CPSea: Large-scale cyclic peptide-protein complex dataset for machine learning in cyclic peptide design
117. NeurIPS 2025Deciphering the Extremes: A Novel Approach for Pathological Long-tailed Recognition in Scientific Discovery
118. NeurIPS 2025DecoyDB: A Dataset for Graph Contrastive Learning in Protein-Ligand Binding Affinity Prediction
119. NeurIPS 2025Deep Taxonomic Networks for Unsupervised Hierarchical Prototype Discovery
120. NeurIPS 2025Differentiable Constraint-Based Causal Discovery
121. NeurIPS 2025Differentiable Cyclic Causal Discovery Under Unmeasured Confounders
122. NeurIPS 2025Discovering Data Structures: Nearest Neighbor Search and Beyond
123. NeurIPS 2025DynaPhArM: Adaptive and Physics-Constrained Modeling for Target-Drug Complexes with Drug-Specific Adaptations
124. NeurIPS 2025Enhancing Bioactivity Prediction via Spatial Emptiness Representation of Protein-ligand Complex and Union of Multiple Pockets
125. NeurIPS 2025FedLPA: Local Prior Alignment for Heterogeneous Federated Generalized Category Discovery
126. NeurIPS 2025FIGRDock: Fast Interaction-Guided Regression for Flexible Docking
127. NeurIPS 2025ForceFM: Enhancing Protein-Ligand Predictions through Force-Guided Flow Matching
128. NeurIPS 2025Foundation Models for Scientific Discovery: From Paradigm Enhancement to Paradigm Transition
129. NeurIPS 2025Generalized Category Discovery under Domain Shift: A Frequency Domain Perspective
130. NeurIPS 2025GLNCD: Graph-Level Novel Category Discovery
131. NeurIPS 2025HIDISC: A Hyperbolic Framework for Domain Generalization with Generalized Category Discovery
132. NeurIPS 2025Implicit Generative Property Enhancer
133. NeurIPS 2025Integrating Drug Substructures and Longitudinal Electronic Health Records for Personalized Drug Recommendation
134. NeurIPS 2025Iterative Foundation Model Fine-Tuning on Multiple Rewards
135. NeurIPS 2025JAMUN: Bridging Smoothed Molecular Dynamics and Score-Based Learning for Conformational Ensemble Generation
136. NeurIPS 2025Latent Principle Discovery for Language Model Self-Improvement
137. NeurIPS 2025Latent Retrieval Augmented Generation of Cross-Domain Protein Binders
138. NeurIPS 2025Manipulating 3D Molecules in a Fixed-Dimensional E(3)-Equivariant Latent Space
139. NeurIPS 2025MLRC-Bench: Can Language Agents Solve Machine Learning Research Challenges?
140. NeurIPS 2025MOOSE-Chem2: Exploring LLM Limits in Fine-Grained Scientific Hypothesis Discovery via Hierarchical Search
141. NeurIPS 2025Near-Optimal Experiment Design in Linear non-Gaussian Cyclic Models
142. NeurIPS 2025NeuralPLexer3: Accurate Biomolecular Complex Structure Prediction with Flow Models
143. NeurIPS 2025OligoGym: Curated Datasets and Benchmarks for Oligonucleotide Drug Discovery
144. NeurIPS 2025Online Feedback Efficient Active Target Discovery in Partially Observable Environments
145. NeurIPS 2025Partition to Evolve: Niching-enhanced Evolution with LLMs for Automated Algorithm Discovery
146. NeurIPS 2025Periodic Skill Discovery
147. NeurIPS 2025Prior-Guided Flow Matching for Target-Aware Molecule Design with Learnable Atom Number
148. NeurIPS 2025ProSpero: Active Learning for Robust Protein Design Beyond Wild-Type Neighborhoods
149. NeurIPS 2025Protein Design with Dynamic Protein Vocabulary
150. NeurIPS 2025Protein Inverse Folding From Structure Feedback

常见问题

2023–2026 年四大会议一共有多少篇药物发现论文？

共 578 篇，按年份分别是 2023 年 79 篇、2024 年 125 篇、2025 年 163 篇、2026 年 211 篇。

NeurIPS 2026 有多少篇药物发现论文？

NeurIPS 2026 有 100 篇药物发现论文，上一届是 64 篇。

ICLR 2026 有多少篇药物发现论文？

ICLR 2026 有 37 篇药物发现论文，上一届是 48 篇。

ICML 2026 有多少篇药物发现论文？

ICML 2026 有 63 篇药物发现论文，上一届是 39 篇。

CVPR 2026 有多少篇药物发现论文？

CVPR 2026 有 11 篇药物发现论文，上一届是 12 篇。

哪个会议的药物发现论文最多？

NeurIPS，2023–2026 年共 234 篇。