Showing 1 - 20 results of 16,251 for search '(((( algorithm new functional ) OR ( algorithm a function ))) OR ( algorithm python function ))', query time: 0.83s Refine Results
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    EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit by Gonzalo Colmenarejo (650249)

    Published 2025
    “…In this paper, a new RDKit/Python implementation of the algorithm is described, that is both accurate and complete. …”
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    The PS of ten comparative algorithms on the MMF14a Test Function. by Wenxing Wu (16853002)

    Published 2025
    “…<p>The PS of ten comparative algorithms on the MMF14a Test Function.</p>…”
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    Function graph and algorithm iterative graph. by WanRu Zhao (18980374)

    Published 2024
    “…This paper presents an effective technique to minimize the SLL and thus improve the radiation pattern of the linear antenna array (LAA) using the chaotic inertia-weighted Wild Horse optimization (IERWHO) algorithm. The wild horse optimizer (WHO) is a new metaheuristic algorithm based on the social behavior of wild horses. …”
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    Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results by Se-Hee Jo (20554623)

    Published 2025
    “…A Python-based algorithm was developed for estimating the nonrandom two-liquid (NRTL) model parameters of aqueous binary systems in a straightforward manner from simplified molecular-input line-entry specification (SMILES) strings of substances in a system. …”
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    <b>Opti2Phase</b>: Python scripts for two-stage focal reducer by Morgan Najera (21540776)

    Published 2025
    “…</p><p dir="ltr">The package includes:</p><ul><li>Scripts for first-order analysis, third-order modeling, optimization using a Physically Grounded Merit Function (PGMF), and RMS-based refinement.…”