Search alternatives:
process optimization » model optimization (Expand Search)
library based » laboratory based (Expand Search)
based process » based processes (Expand Search), based probes (Expand Search), based proteins (Expand Search)
process optimization » model optimization (Expand Search)
library based » laboratory based (Expand Search)
based process » based processes (Expand Search), based probes (Expand Search), based proteins (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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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.
Published 2022Subjects: -
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An optimal solution for the HFS instance.
Published 2025“…In recent years, due to the advantages of nonlinear access and fully parallel processing, the probe machine has shown powerful computing capabilities and promising applications in solving various combinatorial optimization problems. …”
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