In silico generation of novel, drug-like chemical matter using the LSTM neural network.
Peter ErtlRichard LewisEric J. MartinValery R. PolyakovPublished in: CoRR (2017)
Keyphrases
- neural network
- recurrent neural networks
- drug discovery
- chemical compounds
- artificial neural networks
- neural network model
- pattern recognition
- fuzzy logic
- back propagation
- genetic algorithm
- network architecture
- neural network is trained
- multi layer
- virtual screening
- computer simulation
- chemical reactions
- auto associative
- image reconstruction from projections
- neural model
- generation process
- feed forward neural networks
- multi layer perceptron
- training algorithm
- multilayer perceptron
- feed forward