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Discovery of novel hit compounds as potential HDAC1 inhibitors: The case of ligand- and structure-based virtual screening.
Hajar Sirous
Giuseppe Campiani
Vincenzo Calderone
Simone Brogi
Published in:
Comput. Biol. Medicine (2021)
Keyphrases
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drug discovery
virtual screening
chemical structures
discovery process
early stage
similarity searching
chemical compounds
data mining
knowledge discovery
ranking algorithm
binding sites
scoring function
network structure
scientific data