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A Machine Learning Approach to Enhance Scoring Performance in Docking-Based Virtual Screening Experiments: COX-1 as a Case Study.
Cândida G. Silva
Pedro Carreiras
Elsa Henriques
Carlos J. V. Simões
Rui M. M. Brito
Published in:
IWBBIO (2014)
Keyphrases
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virtual screening
drug discovery
chemical structures
similarity searching
high throughput
metadata
bayesian networks
high dimensional
binding sites