Search alternatives:
processes optimization » process optimisation (Expand Search), property optimization (Expand Search)
process optimization » model optimization (Expand Search)
based processes » care processes (Expand Search)
library based » laboratory based (Expand Search)
processes optimization » process optimisation (Expand Search), property optimization (Expand Search)
process optimization » model optimization (Expand Search)
based processes » care processes (Expand Search)
library based » laboratory based (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“…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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