Docking-based Virtual Screening with Multi-Task Learning.
Zijing LiuXianbin YeXiaoming FangFan WangHua WuHaifeng WangPublished in: BIBM (2021)
Keyphrases
- multi task learning
- virtual screening
- drug discovery
- multi task
- similarity searching
- learning tasks
- gaussian processes
- high throughput
- scoring function
- binding sites
- transfer learning
- theoretical analysis
- high order
- learning problems
- multi class
- learning algorithm
- metric space
- data mining
- inductive learning
- learning models
- gaussian process
- training set
- bayesian networks
- feature selection
- machine learning