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A virtual screening framework based on the binding site selectivity for small molecule drug discovery.
Xinhao Che
Qilei Liu
Fang Yu
Lei Zhang
Rafiqul Gani
Published in:
Comput. Chem. Eng. (2024)
Keyphrases
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virtual screening
drug discovery
chemical compounds
similarity searching
early stage
high throughput
binding sites
data mining
scoring function
scientific data
systems biology
microarray
biological systems
database systems
discovery process