Multiobjective de novo drug design with recurrent neural networks and nondominated sorting.
Jacob YasonikPublished in: J. Cheminformatics (2020)
Keyphrases
- recurrent neural networks
- drug design
- multi objective
- pareto optimal
- pareto optimal solutions
- evolutionary algorithm
- multi objective optimization
- multiobjective optimization
- nsga ii
- neural network
- drug discovery
- multiple objectives
- protein structure prediction
- feed forward
- artificial neural networks
- protein protein interactions
- quantitative structure activity
- genetic algorithm
- echo state networks
- bi objective
- recurrent networks
- reservoir computing
- human genome
- particle swarm optimization
- objective function
- multi objective evolutionary algorithms
- mass spectrometry
- fine grained
- optimization problems