يعرض 1 - 20 نتائج من 1,693 نتيجة بحث عن '(( algorithm ((tree functional) OR (phase function)) ) OR ( algorithm python function ))*', وقت الاستعلام: 0.43s تنقيح النتائج
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    <b>Opti2Phase</b>: Python scripts for two-stage focal reducer حسب Morgan Najera (21540776)

    منشور في 2025
    "…<p dir="ltr"><b>Opti2Phase: Python Scripts for Two-Stage Focal Reducer Design</b></p><p dir="ltr">The folder <b>Opti2Phase</b> contains the Python scripts used to generate the results presented in the manuscript. …"
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    EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit حسب Gonzalo Colmenarejo (650249)

    منشور في 2025
    "…In medicinal chemistry, they are the basis for analyzing ligand–biomacromolecule interactions. Ertl’s algorithm is an approach to extract functional groups in arbitrary organic molecules that does not depend on predefined libraries of functional groups. …"
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    Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results حسب Se-Hee Jo (20554623)

    منشور في 2025
    "…This algorithm conducts a series of procedures: (1) fragmentation of the molecules into functional groups from SMILES, (2) calculation of activity coefficients under predetermined temperature and mole fraction conditions by employing universal quasi-chemical functional group activity coefficient (UNIFAC) model, and (3) regression of NRTL model parameters by employing UNIFAC model simulation results in the differential evolution algorithm (DEA) and Nelder–Mead method (NMM). …"
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