A mechanism-based 3D-QSAR approach for classification and prediction of acetylcholinesterase inhibitory potency of organophosphate and carbamate analogs.
Sehan LeeMace G. BarronPublished in: J. Comput. Aided Mol. Des. (2016)
Keyphrases
- classification accuracy
- neural networks and support vector machines
- pattern recognition
- prediction accuracy
- neural network
- decision trees
- classification process
- support vector
- classification systems
- classification scheme
- pattern classification
- support vector machine svm
- machine learning methods
- classification method
- training samples
- model selection
- image classification
- text classification
- preprocessing
- drug design
- predictive modeling
- decision rules
- support vector machine
- automatic classification
- classification models
- nearest neighbour algorithm
- machine learning
- feature extraction
- feature vectors
- knn
- radial basis function
- supervised learning
- classification algorithm
- svm classifier
- rough sets
- machine learning algorithms
- data sets