Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks.
Philippe SchwallerDaniel ProbstAlain C. VaucherVishnu H. NairDavid KreutterTeodoro LainoJean-Louis ReymondPublished in: CoRR (2020)
Keyphrases
- neural network
- chemical reactions
- space time
- feed forward
- pattern recognition
- search space
- machine learning
- parameter space
- databases
- chemical reaction
- multi layer
- neural network model
- visual attention
- radial basis function
- self organizing maps
- sufficient conditions
- artificial neural networks
- training data
- multilayer perceptron
- recurrent neural networks
- input space
- associative memory
- social networks
- network architecture
- learning rules
- focus of attention
- search engine
- genetic algorithm