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process optimization » model optimization (Expand Search)
design optimization » bayesian optimization (Expand Search)
library based » laboratory based (Expand Search)
data process » data processing (Expand Search), damage process (Expand Search), data access (Expand Search)
binary data » primary data (Expand Search), dietary data (Expand Search)
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a) Accuracy and b) selected feature size of algorithms on the COVID-19 dataset.
Published 2022Subjects: -
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Boxplots analysis of the tested algorithms using average error rate across 21 datasets.
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RosettaAMRLD: A Reaction-Driven Approach for Structure-Based Drug Design from Combinatorial Libraries with Monte Carlo Metropolis Algorithms
Published 2025“…The Rosetta automated Monte Carlo reaction-based ligand design (RosettaAMRLD) integrates a Monte Carlo Metropolis (MCM) algorithm and reaction-driven molecule proposal to enhance structure-based <i>de novo</i> drug discovery. …”
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