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 125 篇，第 3 / 3 页

101. NeurIPS 2024MassSpecGym: A benchmark for the discovery and identification of molecules
102. NeurIPS 2024Molecule Generation with Fragment Retrieval Augmentation
103. NeurIPS 2024MOTIVE: A Drug-Target Interaction Graph For Inductive Link Prediction
104. NeurIPS 2024Navigating Chemical Space with Latent Flows
105. NeurIPS 2024Neural Concept Binder
106. NeurIPS 2024No Regrets: Investigating and Improving Regret Approximations for Curriculum Discovery
107. NeurIPS 2024Nonlocal Attention Operator: Materializing Hidden Knowledge Towards Interpretable Physics Discovery
108. NeurIPS 2024On Causal Discovery in the Presence of Deterministic Relations
109. NeurIPS 2024On the Adversarial Robustness of Benjamini Hochberg
110. NeurIPS 2024Ordering-Based Causal Discovery for Linear and Nonlinear Relations
111. NeurIPS 2024Partial Structure Discovery is Sufficient for No-regret Learning in Causal Bandits
112. NeurIPS 2024Probabilistic Decomposed Linear Dynamical Systems for Robust Discovery of Latent Neural Dynamics
113. NeurIPS 2024Prototypical Hash Encoding for On-the-Fly Fine-Grained Category Discovery
114. NeurIPS 2024QWO: Speeding Up Permutation-Based Causal Discovery in LiGAMs
115. NeurIPS 2024ReactZyme: A Benchmark for Enzyme-Reaction Prediction
116. NeurIPS 2024Reprogramming Pretrained Target-Specific Diffusion Models for Dual-Target Drug Design
117. NeurIPS 2024RGFN: Synthesizable Molecular Generation Using GFlowNets
118. NeurIPS 2024S-MolSearch: 3D Semi-supervised Contrastive Learning for Bioactive Molecule Search
119. NeurIPS 2024SkiLD: Unsupervised Skill Discovery Guided by Factor Interactions
120. NeurIPS 2024Symmetry Discovery Beyond Affine Transformations
121. NeurIPS 2024Symmetry-Informed Governing Equation Discovery
122. NeurIPS 2024Towards Stable Representations for Protein Interface Prediction
123. NeurIPS 2024UniIF: Unified Molecule Inverse Folding
124. NeurIPS 2024UniTox: Leveraging LLMs to Curate a Unified Dataset of Drug-Induced Toxicity from FDA Labels
125. NeurIPS 2024WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking

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。