Machine learning-aided generative molecular design.
Yuanqi DuArian R. JamasbJeff GuoTianfan FuCharles HarrisYingheng WangChenru DuanPietro LiòPhilippe SchwallerTom L. BlundellPublished in: Nat. Mac. Intell. (2024)
Keyphrases
- machine learning
- data mining
- information extraction
- engineering design
- user interface
- real time
- inductive learning
- knowledge representation
- control system
- database
- genetic algorithm
- information systems
- three dimensional
- computational intelligence
- design decisions
- knowledge engineering
- design principles
- machine learning algorithms
- unsupervised learning
- data driven
- computer vision
- website
- active learning
- decision trees
- data analysis
- pattern recognition
- bayesian networks