Indefinite Kernels in One-Class Support Vector Machine and its Application on Virtual Screening.
Choujun ZhanBenjamin Yee Shing LiQuansi WenYing GaoTianyong HaoPublished in: BIBM (2019)
Keyphrases
- one class support vector machines
- virtual screening
- anomaly detection
- chemical structures
- drug discovery
- similarity searching
- binding sites
- support vector machine
- high throughput
- kernel function
- scoring function
- data sets
- multi dimensional
- kernel methods
- supervised learning
- data points
- feature space
- training data
- learning algorithm
- data mining