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Delta Machine Learning to Improve Scoring-Ranking-Screening Performances of Protein-Ligand Scoring Functions.
Chao Yang
Yingkai Zhang
Published in:
J. Chem. Inf. Model. (2022)
Keyphrases
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scoring functions
machine learning
scoring function
drug discovery
virtual screening
ranking algorithm
feature selection
protein sequences
learning algorithm
active learning
data points
web search
high throughput
structure learning
protein protein