Showing 1 - 20 results of 56 for search '(( binary b model optimization algorithm ) OR ( library based lead optimization algorithm ))', query time: 1.01s 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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    <i>hi</i>PRS algorithm process flow. by Michela C. Massi (14599915)

    Published 2023
    “…<b>(B)</b> Focusing on the positive class only, the algorithm exploits FIM (<i>apriori</i> algorithm) to build a list of candidate interactions of any desired order, retaining those that have an empirical frequency above a given threshold <i>δ</i>. …”
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    FEP Augmentation as a Means to Solve Data Paucity Problems for Machine Learning in Chemical Biology by Pieter B. Burger (4172578)

    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 by Pieter B. Burger (4172578)

    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 by Pieter B. Burger (4172578)

    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 by Pieter B. Burger (4172578)

    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 by Pieter B. Burger (4172578)

    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 by Pieter B. Burger (4172578)

    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 by Pieter B. Burger (4172578)

    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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    Classification baseline performance. by Doaa Sami Khafaga (21463870)

    Published 2025
    “…The contributions include developing a baseline Convolutional Neural Network (CNN) that achieves an initial accuracy of 86.29%, surpassing existing state-of-the-art deep learning models. Further integrate the binary variant of OcOA (bOcOA) for effective feature selection, which reduces the average classification error to 0.4237 and increases CNN accuracy to 93.48%. …”
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    Feature selection results. by Doaa Sami Khafaga (21463870)

    Published 2025
    “…The contributions include developing a baseline Convolutional Neural Network (CNN) that achieves an initial accuracy of 86.29%, surpassing existing state-of-the-art deep learning models. Further integrate the binary variant of OcOA (bOcOA) for effective feature selection, which reduces the average classification error to 0.4237 and increases CNN accuracy to 93.48%. …”