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network optimization » swarm optimization (Expand Search), wolf optimization (Expand Search)
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network optimization » swarm optimization (Expand Search), wolf optimization (Expand Search)
codes optimization » codon optimization (Expand Search), model optimization (Expand Search), convex optimization (Expand Search)
library based » laboratory based (Expand Search)
binary data » primary data (Expand Search), dietary data (Expand Search)
data codes » data code (Expand Search), data models (Expand Search), data 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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Process of generating MS/MS spectra from a protein mixture using mass-spectrometry analysis.
Published 2021Subjects: -
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