SMILES Enumeration as Data Augmentation for Neural Network Modeling of Molecules.
Esben Jannik BjerrumPublished in: CoRR (2017)
Keyphrases
- neural network
- data sets
- data analysis
- complex data
- training data
- synthetic data
- prior knowledge
- knowledge discovery
- computer systems
- data collection
- data processing
- image data
- pattern recognition
- high quality
- data sources
- raw data
- original data
- input data
- genetic algorithm
- statistical analysis
- data distribution
- database
- data acquisition
- website
- back propagation
- data mining techniques
- end users
- search space
- data structure