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GBO-kNN a new framework for enhancing the performance of ligand-based virtual screening for drug discovery.
Aya A. Mostafa
Amr Alhossary
Sameh A. Salem
Amr E. Mohamed
Published in:
Expert Syst. Appl. (2022)
Keyphrases
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drug discovery
virtual screening
knn
similarity searching
chemical compounds
early stage
nearest neighbor
high throughput
scoring function
similarity search
binding sites
systems biology
data analysis
data mining
text classification
neural network
discovery process
scientific data
feature selection