Reviews

• A Survey of Generative AI for De Novo Drug Design: New Frontiers in Molecule and Protein Generation: A Survey of Generative AI for de novo Drug Design: New Frontiers in Molecule and Protein Generation
  

  

• Advances and Challenges in De Novo Drug Design Using Three-Dimensional Deep Generative Models [2022]: Advances and Challenges in De Novo Drug Design Using Three-Dimensional Deep Generative Models

  

• Assessing Deep Generative Models in Chemical Composition Space [2022]: Assessing Deep Generative Models in Chemical Composition Space

  

• Blundell et al.: Machine learning-aided generative molecular design

  

• De novo molecular design and generative models [2021]: De novo molecular design and generative models

  

• Deep Generative Models in De Novo Drug Molecule Generation [2023]: Deep Generative Models in De Novo Drug Molecule Generation

  

• Deep Learning Generative Models for Drug Discovery [2024]: AI Deep Learning Generative Models for Drug Discovery

  

• Deep generative molecular design reshapes drug discovery [2022]: Deep generative molecular design reshapes drug discovery

  

• Deep learning approaches for de novo drug design: An overview [2021]: Deep learning approaches for de novo drug design: An overview

  

• Deep learning for molecular design—a review of the state of the art [2019]: Deep learning for molecular design—a review of the state of the art

  

• Deep learning to catalyze inverse molecular design [2022]: Deep learning to catalyze inverse molecular design

  

• Generative Models as an Emerging Paradigm in the Chemical Sciences [2023]: Generative Models as an Emerging Paradigm in the Chemical Sciences

  

• Generative Models for De Novo Drug Design [2021]: Generative Models for De Novo Drug Design

  

• Generative chemistry: drug discovery with deep learning generative models [2021]: Generative chemistry: drug discovery with deep learning generative models

  

• Generative machine learning for de novo drug discovery: A systematic review [2022]: Generative machine learning for de novo drug discovery: A systematic review

  

• Generative models for molecular discovery: Recent advances and challenges [2022]: Generative models for molecular discovery: Recent advances and challenges

  

• Inverse molecular design using machine learning: Generative models for matter engineering [2018]: Inverse molecular design using machine learning: Generative models for matter engineering

  

• Machine learning-aided generative molecular design: Machine learning-aided generative molecular design

  

• MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design [2022]: MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design

  

• Molecular design in drug discovery: a comprehensive review of deep generative models [2021]: Molecular design in drug discovery: a comprehensive review of deep generative models

  

• The Hitchhiker’s Guide to Deep Learning Driven Generative Chemistry [2023]: The Hitchhiker’s Guide to Deep Learning Driven Generative Chemistry

  

• Washburn et al.: Diffusion Models in De Novo Drug Design