Search alternatives:
quality optimization » policy optimization (Expand Search), whale optimization (Expand Search), path optimization (Expand Search)
model optimization » codon optimization (Expand Search), global optimization (Expand Search), based optimization (Expand Search)
library based » laboratory based (Expand Search)
based quality » care quality (Expand Search), seed quality (Expand Search), bone quality (Expand Search)
binary task » binary mask (Expand Search)
task model » risk model (Expand Search)
quality optimization » policy optimization (Expand Search), whale optimization (Expand Search), path optimization (Expand Search)
model optimization » codon optimization (Expand Search), global optimization (Expand Search), based optimization (Expand Search)
library based » laboratory based (Expand Search)
based quality » care quality (Expand Search), seed quality (Expand Search), bone quality (Expand Search)
binary task » binary mask (Expand Search)
task model » risk model (Expand Search)
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<i>De Novo</i> Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization
Published 2020“…In the present study, we conceived a novel pair-based multiobjective approach implemented in an adapted SMILES generative algorithm based on recurrent neural networks for the automated <i>de novo</i> design of new molecules whose overall features are optimized by finding the best trade-offs among relevant physicochemical properties (MW, logP, HBA, HBD) and additional similarity-based constraints biasing specific biological targets. …”
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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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The Pseudo-Code of the IRBMO Algorithm.
Published 2025“…To adapt to the feature selection problem, we convert the continuous optimization algorithm to binary form via transfer function, which further enhances the applicability of the algorithm. …”
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IRBMO vs. meta-heuristic algorithms boxplot.
Published 2025“…To adapt to the feature selection problem, we convert the continuous optimization algorithm to binary form via transfer function, which further enhances the applicability of the algorithm. …”
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IRBMO vs. feature selection algorithm boxplot.
Published 2025“…To adapt to the feature selection problem, we convert the continuous optimization algorithm to binary form via transfer function, which further enhances the applicability of the algorithm. …”
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