Optimizing Recurrent Neural Network Architectures for De Novo Drug Design.
Beatriz P. SantosMaryam AbbasiTiago PereiraBernardete RibeiroJoel P. ArraisPublished in: CBMS (2021)
Keyphrases
- recurrent neural networks
- drug design
- neural network
- feed forward
- protein structure prediction
- drug discovery
- reservoir computing
- quantitative structure activity
- echo state networks
- complex valued
- recurrent networks
- artificial neural networks
- protein protein interactions
- hidden layer
- genetic algorithm
- mass spectrometry
- complex systems
- fine grained