Ligand based virtual screening using SVM on GPU.
P. B. JayarajSamyak JainPublished in: Comput. Biol. Chem. (2019)
Keyphrases
- virtual screening
- drug discovery
- chemical structures
- similarity searching
- support vector
- support vector machine
- high throughput
- scoring function
- knn
- binding sites
- real time
- similarity search
- feature selection
- kernel function
- training data
- machine learning
- multi dimensional
- feature vectors
- chemical compounds
- early stage