Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks.
Marwin H. S. SeglerThierry KogejChristian TyrchanMark P. WallerPublished in: CoRR (2017)
Keyphrases
- drug discovery
- recurrent neural networks
- chemical compounds
- neural network
- feed forward
- reservoir computing
- echo state networks
- pharmaceutical industry
- early stage
- artificial neural networks
- recurrent networks
- virtual screening
- scientific data
- data mining tools
- biological systems
- nonlinear dynamic systems
- databases
- knowledge discovery
- systems biology
- database systems
- learning algorithm