Showing 1 - 20 results of 43 for search '(( binary based whole optimization algorithm ) OR ( lines based small optimization algorithm ))', query time: 0.42s Refine Results
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    <i>hi</i>PRS algorithm process flow. by Michela C. Massi (14599915)

    Published 2023
    “…The sequences can include from a single SNP-allele pair up to a maximum number of pairs defined by the user (<i>l</i><sub>max</sub>). <b>(C)</b> The whole training data is then scanned, searching for these sequences and deriving a re-encoded dataset where interaction terms are binary features (i.e., 1 if sequence <i>i</i> is observed in <i>j</i>-th patient genotype, 0 otherwise). …”
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    Distribution of Bound Conformations in Conformational Ensembles for X‑ray Ligands Predicted by the ANI-2X Machine Learning Potential by Fengyang Han (14613218)

    Published 2023
    “…In this study, we systematically studied the energy distribution of bioactive conformations of small molecular ligands in their conformational ensembles using ANI-2X, a machine learning potential, in conjunction with one of our recently developed geometry optimization algorithms, known as a conjugate gradient with backtracking line search (CG-BS). …”
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    Distribution of Bound Conformations in Conformational Ensembles for X‑ray Ligands Predicted by the ANI-2X Machine Learning Potential by Fengyang Han (14613218)

    Published 2023
    “…In this study, we systematically studied the energy distribution of bioactive conformations of small molecular ligands in their conformational ensembles using ANI-2X, a machine learning potential, in conjunction with one of our recently developed geometry optimization algorithms, known as a conjugate gradient with backtracking line search (CG-BS). …”
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