Showing 1 - 20 results of 40 for search '(( binary based whale optimization algorithm ) OR ( lines based small optimization algorithm ))', query time: 0.50s Refine Results
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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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    DataSheet_1_Training Population Design With the Use of Regional Fusarium Head Blight Nurseries to Predict Independent Breeding Lines for FHB Traits.pdf by Virginia L. Verges (9130013)

    Published 2020
    “…Highest prediction accuracies were obtained with bigger TP sizes (300–400) and there were not significant effects of TP optimization method for all traits, although at small TP size, the PEVmean algorithm worked better than other methods. …”
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