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processes optimization » process optimization (Expand Search), process optimisation (Expand Search), property optimization (Expand Search)
lead optimization » global optimization (Expand Search), swarm optimization (Expand Search), whale optimization (Expand Search)
based processes » care processes (Expand Search)
library based » laboratory based (Expand Search)
binary data » primary data (Expand Search), dietary data (Expand Search)
processes optimization » process optimization (Expand Search), process optimisation (Expand Search), property optimization (Expand Search)
lead optimization » global optimization (Expand Search), swarm optimization (Expand Search), whale optimization (Expand Search)
based processes » care processes (Expand Search)
library based » laboratory based (Expand Search)
binary data » primary data (Expand Search), dietary data (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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An optimal solution for the HFS instance.
Published 2025“…Secondly, based on the data libraries of the IPMMPO, two tuple sets suitable for constraint programming modeling are further designed as data preprocessing. …”
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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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Comparison based on hard instances from [79].
Published 2025“…Secondly, based on the data libraries of the IPMMPO, two tuple sets suitable for constraint programming modeling are further designed as data preprocessing. …”
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