Classification of substances by health hazard using deep neural networks and molecular electron densities.
Satnam SinghGina ZehJessica FreiherrThilo BauerIsik TürkmenAndreas GrasskampPublished in: J. Cheminformatics (2024)
Keyphrases
- neural network
- pattern recognition
- classification algorithm
- pattern classification
- automatic classification
- learning vector quantization
- classification scheme
- support vector
- classification accuracy
- image classification
- support vector machine
- model selection
- text classification
- rule extraction
- artificial neural networks
- training set
- decision trees
- machine learning
- van der waals
- classification models
- classification method
- benchmark datasets
- machine learning algorithms
- support vector machine svm
- class labels
- back propagation
- neural network model
- supervised learning
- fuzzy logic
- probability distribution
- fuzzy decision trees
- neural networks and support vector machines
- preprocessing