A Survey of Generative AI for De Novo Drug Design: New Frontiers in Molecule and Protein Generation.
Xiangru TangHoward DaiElizabeth KnightFang WuYunyang LiTianxiao LiMark GersteinPublished in: CoRR (2024)
Keyphrases
- drug design
- drug discovery
- mass spectrometry
- protein structure prediction
- essential proteins
- artificial intelligence
- protein protein interactions
- quantitative structure activity
- mass spectra
- tandem mass spectra
- machine learning
- discovery process
- early stage
- knowledge representation
- systems biology
- biological systems
- protein protein
- graph theory
- data mining