Showing 1 - 20 results of 89 for search '(( library based feature optimization algorithm ) OR ( binary task based optimization algorithm ))*', query time: 0.65s Refine Results
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    <i>De Novo</i> Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization by Alberga Domenico (9356272)

    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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    Proposed Algorithm. by Hend Bayoumi (22693738)

    Published 2025
    “…Hence, an Energy-Harvesting Reinforcement Learning-based Offloading Decision Algorithm (EHRL) is proposed. …”
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