Ligand Prediction for Orphan Targets Using Support Vector Machines and Various Target-Ligand Kernels Is Dominated by Nearest Neighbor Effects.
Anne Mai WassermannHanna GeppertJürgen BajorathPublished in: J. Chem. Inf. Model. (2009)
Keyphrases
- nearest neighbor
- drug design
- target detection
- target tracking
- target recognition
- moving target
- multiple targets
- high throughput
- multi target
- prediction model
- knn
- prediction accuracy
- prediction algorithm
- k nearest neighbor
- target position
- protein structure prediction
- high dimensional
- nearest neighbor search
- neural network
- high dimensional data
- kernel function
- prediction error
- support vector
- learning to classify
- kernel methods
- distance function
- infrared
- index structure
- linear combination
- particle filter
- decision trees