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Discovery of Hit Compounds Targeting the P4 Allosteric Site of K-RAS, Identified through Ensemble-Based Virtual Screening.
Patricia Gómez-Gutiérrez
Jaime Rubio-Martinez
Juan Jesús Pérez
Published in:
J. Chem. Inf. Model. (2023)
Keyphrases
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drug discovery
virtual screening
discovery process
chemical structures
chemical compounds
data mining
knowledge discovery
early stage
similarity searching
scientific data
ensemble methods
pairwise
training set
database systems
machine learning
data mining tools
data sets