Showing 1 - 20 results of 33 for search '(( binary _ mixture optimization algorithm ) OR ( lines based proteins optimization algorithm ))', query time: 0.42s Refine Results
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    Predicting Thermal Decomposition Temperature of Binary Imidazolium Ionic Liquid Mixtures from Molecular Structures by Hongpeng He (348094)

    Published 2021
    “…The subset of optimal descriptors was screened by combining the genetic algorithm with the multiple linear regression method. …”
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    Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results by Se-Hee Jo (20554623)

    Published 2025
    “…The algorithm was applied to aqueous, binary mixture systems composed of 37 common biochemical substances such as amino acids, organic acids, and sugars. …”
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    Identification and quantitation of clinically relevant microbes in patient samples: Comparison of three k-mer based classifiers for speed, accuracy, and sensitivity by George S. Watts (7962206)

    Published 2019
    “…We tested the accuracy, sensitivity, and resource requirements of three top metagenomic taxonomic classifiers that use fast k-mer based algorithms: Centrifuge, CLARK, and KrakenUniq. Binary mixtures of bacteria showed all three reliably identified organisms down to 1% relative abundance, while only the relative abundance estimates of Centrifuge and CLARK were accurate. …”
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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). …”