본문으로 건너뛰기

신약 개발 AI

AI Drug Discovery · 연구실 33곳 · 논문 140편

다른 주제·대학과 함께 찾기
칸 하나가 연구실 하나예요. 이 주제 논문이 많을수록 밝아요.

관련 연구실

등급은 학회·저널 분류이며 연구실 순위가 아닙니다.

  1. SNUAI for Science

    김선BHI Lab

    관련 논문 30편비중 51%연구 분야에 명시
    • 2026SubDyve: Subgraph-Driven Dynamic Propagation for Virtual Screening Enhancement Controlling False Positive ICLR
    • 2026CAREPath: Semantic Context-Aware Reasoning Paths with Mechanism-Augmented Embeddings for Drug Repurposing Briefings in Bioinformatics
    • 2026EnsDTI: Predicting Drug-Target Interaction with Mixture-of-Experts and Confidence Assessment IEEE TCBB
  2. KAISTAI for Science

    김우연Intelligent Chemistry Lab

    관련 논문 15편비중 42%연구 분야에 명시
    • 2026Autonomous bioisosteric replacement for multi-property optimization in drug design Nature Communications
    • 2026FragFM: Hierarchical Framework for Efficient Molecule Generation via Fragment-Level Discrete Flow Matching ICLR
    • 2026Riemannian denoising model for molecular structure optimization with chemical accuracy Nature Computational Science
  3. Yonsei데이터 마이닝

    박상현DELAB

    관련 논문 14편비중 30%연구 분야에 명시
    • 2026LeakGFN: Robust Molecular Generation in Generative Flow Networks via Flow Decomposition ICML
    • 2026PharDiff: Pharmacophore-aware Diffusion Model for Pocket Specific Three-Dimensional Molecular Generation ACM SAC
    • 2026TheSelective: Dual Affinity–Guided Diffusion for Selective Molecular Generation PAKDD
  4. KAIST머신러닝

    안성수SPML Lab

    관련 논문 7편비중 15%연구 분야에 명시
    • 2026A Systematic Evaluation of Co-folding Model Representations for Small-Molecule Learning NeurIPS
    • 2026Learning Flexible Forward Trajectories for Masked Molecular Diffusion ICLR
    • 2025Generative Flows on Synthetic Pathway for Drug Design ICLR
  5. KUAI for Science

    감태의Medical AI Lab

    관련 논문 9편비중 13%
    • 2026Advancing Molecular Structure Elucidation for Mass Spectrum Interpretation via Cepstral Analysis ICEIC
    • 2026FACT: Functional Group Alignment and Consistency in Token Space for Structure-aware Molecular Representation Learning ACL
    • 2025Offline Model-based Optimization for Real-World Molecular Discovery ICML
  6. SNUAI for Science

    정유성MICC Lab

    관련 논문 4편비중 9%연구 분야에 명시
    • 2026SynTwins: A Retrosynthesis-Guided Framework for Synthesizable Molecular Analog Generation Chem. Sci
    • 2025Unveiling high-performance hosts for blue OLEDs via deep learning and high-throughput virtual screening Chem. Eng. J
    • 2024Estimating the synthetic accessibility of molecules with building block and reaction-aware SAScore Journal of Cheminformatics
  7. KAIST머신러닝

    신진우ALIN Lab

    관련 논문 8편비중 6%
    • 2026Learning Flexible Forward Trajectories for Masked Molecular Diffusion ICLR
    • 2025Training Text-to-Molecule Models with Context-Aware Tokenization EMNLP Findings
    • 2024Conditional Synthesis of 3D Molecules with Time Correction Sampler NeurIPS
  8. KAIST데이터 마이닝

    박찬영DSAIL

    관련 논문 7편비중 7%
    • 2026RAG-Enhanced Collaborative LLM Agents for Drug Discovery AAAI
    • 20253D Interaction Geometric Pre-training for Molecular Relational Learning NeurIPS
    • 2025Electron-Informed Coarse-Graining Molecular Representation Learning for Real-World Molecular Physics KDD
  9. YonseiAI for Science2026 업데이트 중

    남호정BIIL

    관련 논문 3편비중 25%연구 분야에 명시
    • 2025A genotype-to-drug diffusion model for generation of tailored anti-cancer small molecules Nature Communications
    • 2025DD-PRiSM: A Deep Learning Framework for Decomposition and Prediction of Synergistic Drug Combinations Briefings in Bioinformatics
    • 2023GraphATT-DTA: attention-based novel representation of interaction to predict drug-target binding affinity Biomedicines
  10. KU자연어처리·LLM

    이상근Data Intelligence Lab

    관련 논문 4편비중 11%
    • 2026MolSC: Leveraging Substituent Contributions to Enhance Fine-grained Molecular Understanding in LLMs EMNLP
    • 2025Bridging the Gap Between Molecule and Textual Descriptions via Substructure-aware Alignment EMNLP
    • 2024MolTRES: Improving Chemical Language Representation Learning for Molecular Property Prediction EMNLP
  11. KU머신러닝

    김성웅, 임성빈AGI Lab

    관련 논문 3편비중 9%
    • 2026MolDesignBench: Evaluating LLM-based Agent for Scenario-grounded Molecular Design COLM
    • 2025Mol-LLM: Multimodal Generalist Molecular LLM with Improved Graph Utilization NeurIPS
    • 2024Scalable Multi-Task Transfer Learning for Molecular Property Prediction ICML
  12. KAISTAI for Science

    예종철BISPL

    관련 논문 3편비중 3%
    • 2026PACE-RAG: Patient-Aware Contextual and Evidence-Constrained RAG for Clinical Drug Recommendation EMNLP Findings
    • 2025LDMol: Text-to-Molecule Diffusion Model with Structurally Informative Latent Space Space Surpass the AR Models ICML
    • 2024Bidirectional generation of structure and properties through a single molecular foundation model Nature Communications
  13. KAIST머신러닝

    황성주MLAI Lab

    관련 논문 3편비중 3%
    • 2026Synthon Contrastive Learning for Synthesizable 3D Molecule Generation NeurIPS
    • 2025Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model NeurIPS
    • 2024Drug Discovery with Dynamic Goal-aware Fragments ICML
  14. SNU데이터 마이닝

    박현우DIAL Lab

    관련 논문 3편비중 8%
    • 2025Are All Generic Drugs Created Equal? An Empirical Analysis of Generic Drug Manufacturing Location and Serious Drug Adverse Events Production and Operations Management
    • 2025Obligatory responses to FDA inspection outcomes and future drug shortages Manufacturing & Service Operations Management
    • 2024Gender and Serious Drug Recalls: A Textual Sentiment Analysis of Drug Reviews on WebMD Production and Operations Management
  15. SNUAI for Science

    백민경Laboratory of Computational Structural and Systems Biology

    연구 분야에 명시
  16. SNUAI for Science

    김경수AIBL

    관련 논문 2편비중 6%
    • 2026Engineering IL-21 secretion in T cells using druggable ligand-responsive stabilized domains Scientific Reports
    • 2025HybridLinker: Topology-Guided Posterior Sampling for Enhanced Diversity and Validity in 3D Molecular Linker Generation ICML
  17. POSTECH머신러닝

    김동우, 옥정슬, 박상돈, 박은혁ML Lab

    관련 논문 3편비중 3%
    • 2025Enhancing Ligand Validity and Affinity in Structure-Based Drug Design with Multi-Reward Optimization ICML
    • 2024Fragment-based Multi-view Molecular Contrastive Learning TMLR
    • 2023Contrastive Learning of Molecular Representation with Fragmented Views ICLR
  18. KAIST컴퓨터 비전

    김현우MLV Lab

    관련 논문 2편비중 3%
    • 2026Improving Large Molecular Language Model via Relation-aware Multimodal Collaboration AAAI
    • 2024LLaMo: Large Language Model-based Molecular Graph Assistant NeurIPS
  19. KAIST머신러닝

    윤세영OSI Lab

    관련 논문 2편비중 1%
    • 2026MolHIT: Advancing Molecular-Graph Generation with Hierarchical Discrete Diffusion Models NeurIPS
    • 2024Conditional Synthesis of 3D Molecules with Time Correction Sampler NeurIPS
  20. KAIST머신러닝

    양은호MLI Lab

    관련 논문 2편비중 3%
    • 2025ReBind: Enhancing Ground-state Molecular Conformation Prediction via Force-Based Graph Rewiring ICLR
    • 2025HybridLinker: Topology-Guided Posterior Sampling for Enhanced Diversity and Validity in 3D Molecular Linker Generation ICML
  21. KAIST머신러닝

    박진규System Intelligence Lab

    관련 논문 2편비중 4%
    • 2025Generative Flows on Synthetic Pathways for Drug Design ICLR
    • 2024Genetic-guided GFlowNets for Sample Efficient Molecular Optimization NeurIPS
  22. KAIST머신러닝

    이주호SIML Lab

    관련 논문 1편비중 1%
    • 2026Permutation-symmetrized diffusion for unconditional molecular generation ICLR
  23. KU머신러닝

    이성환PRML Lab

    관련 논문 1편비중 1%
    • 2026ChemFixer: Correcting Invalid Molecules to Unlock Previously Unseen Chemical Space IEEE JBHI
  24. Yonsei머신러닝

    송경우MLAI Lab

    관련 논문 1편비중 1%
    • 2026Evaluating In-Context Learning in Large Language Models for Molecular Property Regression Journal of Computational Chemistry
  25. SNUAI for Science

    백대현Laboratory of Computational Biology

    관련 논문 1편비중 10%
    • 2025Comprehensive discovery of m6A sites in the human transcriptome at single-molecule resolution Nature Communications
  26. SNU컴퓨터 비전

    이준석VIP Lab

    관련 논문 2편비중 4%
    • 2023Towards Physically Reliable Molecular Representation Learning UAI
    • 2023Hybrid Diffusions for Stable Molecular Structure Generation via Explicit Energy-based Model ICML
  27. KAIST컴퓨터 비전

    홍승훈Vision and Learning Lab

    관련 논문 1편비중 3%
    • 20253D Denoisers are Good 2D Teachers: Molecular Pretraining via Denoising and Cross-Modal Distillation AAAI
  28. Yonsei자연어처리·LLM

    김재형ML3 Lab

    관련 논문 1편비중 2%
    • 2025Structural Reasoning Improves Molecular Understanding of LLM ACL
  29. SNU머신러닝

    윤성로AI Lab

    관련 논문 2편비중 2%
    • 2023Deep Contrastive Learning of Molecular Conformation for Efficient Property Prediction Nature Computational Science
    • 2023GeoT: A Geometry-aware Transformer for Reliable Molecular Property Prediction and Chemically Interpretable Representation Learning ACS Omega
  30. KAIST데이터 마이닝

    박노성BigDyL

    관련 논문 1편비중 1%
    • 2025Predicting Drug-Drug Interactions: A Deep Learning Approach with GCN-Based Collaborative Filtering Artificial Intelligence in Medicine
  31. Yonsei자연어처리·LLM

    이동하DLI Lab

    관련 논문 1편비중 2%
    • 2023Learning Topology-Specific Experts for Molecular Property Prediction AAAI
  32. SNU자연어처리·LLM

    정교민MI Lab

    관련 논문 1편비중 1%
    • 2023Automatic Extraction of Comprehensive Drug Safety Information from Adverse Drug Event Narratives in the Korea Adverse Event Reporting System Using Natural Language Processing Techniques Drug Safety
  33. KAIST컴퓨터 비전

    주재걸DAVIAN Lab

    관련 논문 1편비중 1%
    • 2023Towards Physically Reliable Molecular Representation Learning UAI