Mapping the space of chemical reactions using attention-based neural networks.
Philippe SchwallerDaniel ProbstAlain C. VaucherVishnu H. NairDavid KreutterTeodoro LainoJean-Louis ReymondPublished in: Nat. Mach. Intell. (2021)
Keyphrases
- neural network
- chemical reactions
- chemical reaction
- pattern recognition
- artificial neural networks
- neural network model
- fuzzy systems
- fuzzy logic
- low dimensional
- vector space
- information retrieval
- visual attention
- database
- focus of attention
- higher dimensional
- training process
- parameter space
- search space
- image processing