3D-QSAR studies of some reversible Acetyl cholinesterase inhibitors based on CoMFA and ligand protein interaction fingerprints using PC-LS-SVM and PLS-LS-SVM.
Hamidreza GhafouriMohsen RanjbarAmirhossein SakhtemanPublished in: Comput. Biol. Chem. (2017)
Keyphrases
- ls svm
- protein protein interactions
- drug design
- least squares support vector machine
- partial least squares
- protein interaction
- least squares
- variable selection
- high throughput
- computational methods
- cross validation
- support vector machine
- correlation coefficient
- prediction model
- improved algorithm
- generalization ability
- gene ontology
- network topology
- biological data
- biomedical literature
- network analysis
- rbf neural network
- drug discovery
- high precision
- svm classifier
- input variables
- support vector
- markov chain
- parameter estimation
- hyperparameters
- neural network model
- model selection
- structural properties