Search alternatives:
feature optimization » resource optimization (Expand Search), feature elimination (Expand Search), structure optimization (Expand Search)
driven optimization » design optimization (Expand Search), guided optimization (Expand Search), dose optimization (Expand Search)
library based » laboratory based (Expand Search)
binary wave » binary image (Expand Search)
feature optimization » resource optimization (Expand Search), feature elimination (Expand Search), structure optimization (Expand Search)
driven optimization » design optimization (Expand Search), guided optimization (Expand Search), dose optimization (Expand Search)
library based » laboratory based (Expand Search)
binary wave » binary image (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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Comparison of ranks for classification algorithms across performance metrics.
Published 2022Subjects: -
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Tradeoff between execution time and predictive performance for classification algorithms.
Published 2022Subjects: -
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