Search alternatives:
driven optimization » design optimization (Expand Search), guided optimization (Expand Search), dose optimization (Expand Search)
lead optimization » global optimization (Expand Search), swarm optimization (Expand Search), whale optimization (Expand Search)
library based » laboratory based (Expand Search)
driven optimization » design optimization (Expand Search), guided optimization (Expand Search), dose optimization (Expand Search)
lead optimization » global optimization (Expand Search), swarm optimization (Expand Search), whale optimization (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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FEP Augmentation as a Means to Solve Data Paucity Problems for Machine Learning in Chemical Biology
Published 2024“…Ultimately, the study advocates for the synergy of physics-based methods and ML to expedite the lead optimization process. …”
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FEP Augmentation as a Means to Solve Data Paucity Problems for Machine Learning in Chemical Biology
Published 2024“…Ultimately, the study advocates for the synergy of physics-based methods and ML to expedite the lead optimization process. …”
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FEP Augmentation as a Means to Solve Data Paucity Problems for Machine Learning in Chemical Biology
Published 2024“…Ultimately, the study advocates for the synergy of physics-based methods and ML to expedite the lead optimization process. …”
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FEP Augmentation as a Means to Solve Data Paucity Problems for Machine Learning in Chemical Biology
Published 2024“…Ultimately, the study advocates for the synergy of physics-based methods and ML to expedite the lead optimization process. …”
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FEP Augmentation as a Means to Solve Data Paucity Problems for Machine Learning in Chemical Biology
Published 2024“…Ultimately, the study advocates for the synergy of physics-based methods and ML to expedite the lead optimization process. …”
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FEP Augmentation as a Means to Solve Data Paucity Problems for Machine Learning in Chemical Biology
Published 2024“…Ultimately, the study advocates for the synergy of physics-based methods and ML to expedite the lead optimization process. …”
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FEP Augmentation as a Means to Solve Data Paucity Problems for Machine Learning in Chemical Biology
Published 2024“…Ultimately, the study advocates for the synergy of physics-based methods and ML to expedite the lead optimization process. …”
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Event-driven data flow processing.
Published 2025“…Subsequently, we implement an optimal binary tree decision-making algorithm, grounded in dynamic programming, to achieve precise allocation of elastic resources within data streams, significantly bolstering resource utilization. …”