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 37 篇，第 1 / 1 页

1. ICLR 2026A Hierarchical Circuit Symbolic Discovery Framework for Efficient Logic Optimization
2. ICLR 2026Adaptive Gaussian Expansion for On-the-fly Category Discovery
3. ICLR 2026Bures Generalized Category Discovery
4. ICLR 2026CAPSUL: A Comprehensive Human Protein Benchmark for Subcellular Localization
5. ICLR 2026Causal Discovery in the Wild: A Voting-Theoretic Ensemble Approach
6. ICLR 2026Causal Discovery via Quantile Partial Effect
7. ICLR 2026ConfHit: Conformal Generative Design via Nested Testing
8. ICLR 2026Differentially Private Domain Discovery
9. ICLR 2026Disentangled representation learning through unsupervised symmetry group discovery
10. ICLR 2026Drugging the Undruggable: Benchmarking and Modeling Fragment-Based Screening
11. ICLR 2026DrugTrail: Explainable Drug Discovery via Structured Reasoning and Druggability‑Tailored Preference Optimization
12. ICLR 2026Exploring Synthesizable Chemical Space with Iterative Pathway Refinements
13. ICLR 2026Flow Expansion via Verifier-Constrained Noised State Space Exploration
14. ICLR 2026Formal Mechanistic Interpretability: Automated Circuit Discovery with Provable Guarantees
15. ICLR 2026FragFM: Hierarchical Framework for Efficient Molecule Generation via Fragment-Level Discrete Flow Matching
16. ICLR 2026From Concepts to Components: Concept-Agnostic Attention Module Discovery in Transformers
17. ICLR 2026GEPA: Reflective Prompt Evolution Can Outperform Reinforcement Learning
18. ICLR 2026GRAM-DTI: Adaptive Multimodal Representation Learning for Drug–Target Interaction Prediction
19. ICLR 2026Hedonic Neurons: A Mechanistic Mapping of Latent Coalitions in Transformer MLPs
20. ICLR 2026Influence without Confounding: Causal Discovery from Temporal Data with Long-term Carry-over Effects
21. ICLR 2026Interpolation-Based Conditioning of Flow Matching Models for Bioisosteric Ligand Design
22. ICLR 2026KGOT: Unified Knowledge Graph and Optimal Transport Pseudo-Labeling for Molecule-Protein Interaction Prediction
23. ICLR 2026Multi-Condition Conformal Selection
24. ICLR 2026Multi-state Protein Design with DynamicMPNN
25. ICLR 2026On Discovering Algorithms for Adversarial Imitation Learning
26. ICLR 2026Pallatom-Ligand: an All-Atom Diffusion Model for Designing Ligand-Binding Proteins
27. ICLR 2026PepBenchmark: A Standardized Benchmark for Peptide Machine Learning
28. ICLR 2026PRISM: Progressive Robust Learning for Open-World Continual Category Discovery
29. ICLR 2026RECON: Robust symmetry discovery via Explicit Canonical Orientation Normalization
30. ICLR 2026Reference Guided Skill Discovery
31. ICLR 2026Refine Drugs, Don’t Complete Them: Uniform-Source Discrete Flows for Fragment-Based Drug Discovery
32. ICLR 2026SAIR: Enabling Deep Learning for Protein-Ligand Interactions with a Synthetic Structural Dataset
33. ICLR 2026Scaling Multi-Task Bayesian Optimization with Large Language Models
34. ICLR 2026ShinkaEvolve: Towards Open-Ended and Sample-Efficient Program Evolution
35. ICLR 2026SpectralGCD: Spectral Concept Selection and Cross-modal Representation Learning for Generalized Category Discovery
36. ICLR 2026SYNC: Measuring and Advancing Synthesizability in Structure-Based Drug Design
37. ICLR 2026Toward Safer Diffusion Language Models: Discovery and Mitigation of Priming Vulnerability

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。