Graph Neural Networks for Drug Discovery: An Integrated Decision Support Pipeline.
Pietro BonginiPublished in: MetroXRAINE (2023)
Keyphrases
- drug discovery
- decision support
- neural network
- chemical compounds
- decision support system
- pharmaceutical industry
- random walk
- early stage
- data mining
- business intelligence
- virtual screening
- knowledge discovery
- systems biology
- graph data
- weighted graph
- data warehousing
- preprocessing
- graph mining
- scientific data
- connected components
- data warehouse
- graph databases
- biological systems
- real world
- database
- structured data
- machine learning
- data mining tools
- decision making
- query processing
- decision trees