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Reducing false positive rate of docking-based virtual screening by active learning.
Lei Wang
Shao-Hua Shi
Hui Li
Xiangxiang Zeng
Su-You Liu
Zhao-Qian Liu
Yafeng Deng
Ai-Ping Lu
Tingjun Hou
Dong-Sheng Cao
Published in:
Briefings Bioinform. (2023)
Keyphrases
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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