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 100 篇，第 1 / 2 页

1. NeurIPS 2026A Systematic Evaluation of Co-folding Model Representations for Small-Molecule Learning
2. NeurIPS 2026ACER: Towards Generalizable Protein-ligand Co-folding
3. NeurIPS 2026Act, Validate, Adapt: Closing the Causal Discovery-Control Loop
4. NeurIPS 2026Active Flow Expansion for Out-of-Distribution Discovery: from Theory to Molecules
5. NeurIPS 2026AdaPaD: Adaptive Parallel Deflation for PEFT with Self-Correcting Rank Discovery
6. NeurIPS 2026AI for Drug Discovery Models Often Do Not Learn as Expected and How to Diagnose These Failure Modes
7. NeurIPS 2026AIRA-Compose: Agentic Discovery of Neural Architectures
8. NeurIPS 2026AlloGen: Conformation-Selective Binder Design with Differential State Scoring
9. NeurIPS 2026Anchored Protein Engineering
10. NeurIPS 2026AptaBench: A Benchmark for Aptamer-Small Molecule Binding
11. NeurIPS 2026Attention-Based Pretraining for Unsupervised Amortized Causal Discovery
12. NeurIPS 2026Auditing the Judge: Human-Grounded Bias Discovery, Quantification, and Mitigation in LLM Judges
13. NeurIPS 2026Automated Kernel Discovery Towards Understanding High-dimensional Bayesian Optimization
14. NeurIPS 2026Ballad: Bandit-Based LLM Routing for Automated Heuristic Discovery
15. NeurIPS 2026Beyond Drug Discovery: The Nanotechnology Molecular Optimization (NMO) Benchmark
16. NeurIPS 2026Bridging Sequence and Structure with Unified Domain Adaptation for Drug-Target Interaction Prediction
17. NeurIPS 2026Causal Discovery from Unseen Environments
18. NeurIPS 2026Causal discovery needs explicit epistemic standards
19. NeurIPS 2026Causal Discovery Under Hard Selection Bias: A New Robust Score-Matching Approach
20. NeurIPS 2026Causal Discovery under Time-Varying Delays
21. NeurIPS 2026Causal Discovery via Transformed Low-Rank Quantile Surfaces
22. NeurIPS 2026Causal Discovery with False Positive Error Control
23. NeurIPS 2026CausalBind: Causal Modeling and Learning for Protein-Molecule Virtual Screening
24. NeurIPS 2026CausalTab: Pretraining Across Causal Environments for Tabular Causal Discovery
25. NeurIPS 2026ColdDDI: Evaluating Knowledge Utilization in Cold-Start Drug-Drug Interaction Prediction
26. NeurIPS 2026Compact SO(3) Equivariant Atomistic Foundation Models via Structural Pruning
27. NeurIPS 2026Computational Dynamic Mechanism Design
28. NeurIPS 2026Confidence-Based Diffusion Sampling with Geometric Readiness Awareness for Accelerated Structure-based Drug Design
29. NeurIPS 2026Contrastive Discovery: Open-Ended Scientific Discovery over Competing Explanations
30. NeurIPS 2026Cross-Model Circuit Discovery
31. NeurIPS 2026Crosscoding Through Time: Sparse Feature Discovery Across Sequence Positions
32. NeurIPS 2026CruxBench: A Benchmark of Information Discovery
33. NeurIPS 2026Deep-Koopman-KANDy: Dictionary Discovery for Deep-Koopman Operators with Kolmogorov-Arnold Networks for Dynamics
34. NeurIPS 2026DETS: An Interval-Censored Evidential Sampling Framework for Cross-Domain Scientific Discovery
35. NeurIPS 2026Dexterous Skill Discovery via Topology-Aware Wasserstein Dependency
36. NeurIPS 2026DISCOVER: Online Variance-Guided Data Discovery for Budgeted Multimodal GRPO
37. NeurIPS 2026DrugSAGE: Self-evolving Agent Experience for Efficient State-of-the-Art Drug Discovery
38. NeurIPS 2026Energy-Adaptive Equivariant State Space Models for Noise-Robust Protein Structure Representation
39. NeurIPS 2026Entangled Schrödinger Bridge Matching
40. NeurIPS 2026Fiedler-Regularized Causal Discovery for Sparse Connected DAGs
41. NeurIPS 2026Finite Resources False Discovery Rate Control on Structured Hypothesis Spaces
42. NeurIPS 2026Flexible Flows for Biological Sequence Design
43. NeurIPS 2026From I/O to Code with Discovery Agent
44. NeurIPS 2026Generating Physically Consistent Molecules with Energy-Based Models
45. NeurIPS 2026GenZ: Hybrid statistical–foundational models for knowledge discovery from real-valued multidimensional targets
46. NeurIPS 2026GraDE: A Graph Diffusion Estimator for Frequent Subgraph Discovery in Neural Architectures
47. NeurIPS 2026Hodge Laplacian Quasi-Harmonic Flows for Option Discovery
48. NeurIPS 2026HyperTree: Scalable Unsupervised Hierarchy Discovery in Hyperbolic Space
49. NeurIPS 2026Improving constraint-based discovery with robust propagation and LLM priors
50. NeurIPS 2026Integrating Background Knowledge for Scalable Causal Discovery

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。