Learning organo-transition metal catalyzed reactions by graph neural networks.
Motoji SakaiMitsunori KaneshigeKoji YasudaPublished in: J. Comput. Chem. (2024)
Keyphrases
- neural network
- learning process
- random walk
- learning algorithm
- neural learning
- graph theory
- unsupervised learning
- learning systems
- connectionist systems
- learning scheme
- neural nets
- active learning
- prior knowledge
- pattern recognition
- learning activities
- online learning
- mobile learning
- directed graph
- learning tasks
- learning problems
- graph matching
- inductive inference
- graph representation
- reinforcement learning
- genetic algorithm