ChemNet: A Transferable and Generalizable Deep Neural Network for Small-Molecule Property Prediction.
Garrett B. GohCharles SiegelAbhinav VishnuNathan O. HodasPublished in: CoRR (2017)
Keyphrases
- neural network
- prediction model
- prediction accuracy
- small number
- multi layer perceptron
- pattern recognition
- artificial neural networks
- neural network model
- genetic algorithm
- knn
- prediction algorithm
- database
- prediction error
- radial basis function network
- predictive model
- activation function
- chaotic time series
- neural network is trained
- fermentation process
- drug discovery
- feed forward neural networks
- recurrent neural networks
- case study