자료실

AI 활용신약 DB

  • 적용단계
  • 비임상/임상개발 타겟발굴 바이오마커발굴 후보물질최적화 약물탐색 화합물디자인 단백질디자인
  • 유형
  • Binding ADME Toxicity Physicochemical Functional Genomics Transcriptomics Pharmacokinetics Images
  • 모델
  • Representation Learning Prediction Classification Clustering Diemension Reduction Generation Model Multi-Task Learning Language Model Reinforcement Learining Similarity
  • 목적
  • 교육 연구
  • 전체해제
  • 비임상/임상개발
  • 타겟발굴
  • 바이오마커발굴
  • 후보물질최적화
  • 약물탐색
  • 화합물디자인
  • 단백질디자인
  • Binding
  • ADME
  • Toxicity
  • Physicochemical
  • Functional
  • Genomics
  • Transcriptomics
  • Pharmacokinetics
  • Images
  • Representation Learning
  • Prediction
  • Classification
  • Clustering
  • Diemension Reduction
  • Generation Model
  • Multi-Task Learning
  • Language Model
  • Reinforcement Learining
  • Similarity
  • 교육
  • 연구
전체해제
총 65건

  • [논문] BioLiP2: an updated structure database

  • [논문] Papyrus - A large scale curated dataset aimed at bioactivity predictions

  • [논문] MISATO : machine learning dataset of protein–ligand complexes

  • [논문] FABind: Fast and Accurate Protein-Ligand Binding

  • [논문] Virtual screening of bioassay data

  • [논문] Proteogenomics connects somatic mutations to signalling in breast cancer

  • [논문] PharmaBench: Enhancing ADMET benchmarks with large language models

  • [논문] CARA: Benchmarking Compound Activity Prediction for Real-World Drug Discovery Applications

  • [논문] PLAS-20k: Extended Dataset of Protein-Ligand Affinities

  • [논문] A comprehensive dataset of protein-protein interactions

  • [논문] The Drug-Like Molecule Pre-Training Strategy for Drug Discovery

  • Deep learning large-scale drug discovery and repurposing

  • [논문] Predicting transcriptional responses to novel chemical perturbations

  • [논문] Deep Geometric Framework to Predict Antibody-Antigen Binding Affinity

  • [논문] CMNPD: a comprehensive marine natural products database

  • [논문] DrugBank 5.0: a major update to the DrugBank database for 2018

  • [논문] a comprehensive public database of secondary metabolites from cyanobacteria

  • [논문] Use of Natural Products as Chemical Library for Drug Discovery and Network Pharmacology

  • [논문] Comprehensive Toxic Plants

  • [논문] TCMID: Traditional Chinese Medicine integrative database for herb molecular mechanism analysis