Reducing false positive rate of docking-based virtual screening by active learning.
Lei WangShao-Hua ShiHui LiXiangxiang ZengSu-You LiuZhao-Qian LiuYafeng DengAi-Ping LuTingjun HouDong-Sheng CaoPublished in: Briefings Bioinform. (2023)
Keyphrases
- false positive rate
- active learning
- virtual screening
- detection rate
- false positives
- false negative rate
- true positive rate
- chemical structures
- similarity searching
- drug discovery
- low false positive rate
- face detection
- detection algorithm
- transfer learning
- semi supervised
- binding sites
- false negative
- machine learning
- labeled data
- supervised learning
- learning process
- similarity search
- high throughput
- computational cost
- distance function
- object detection
- multi class
- training set
- social networks