Showing 1 - 20 results of 1,843 for search '(( algorithm design function ) OR ( ((algorithm python) OR (algorithm both)) function ))*', query time: 0.48s 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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    Study proposed algorithm. by Ainhoa Pérez-Guerrero (21377457)

    Published 2025
    “…The index of microvascular resistance (IMR) is a specific physiological parameter used to assess microvascular function. Invasive coronary assessment has been shown to be both feasible and safe. …”
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    Accelerated MPC Algorithms and Augmented System Design for Legged Robots by John Ndegwa Nganga (21088838)

    Published 2025
    “…We validate this design both in simulation and hardware. Overall, this dissertation aims to bridge some of the gaps that exist before legged robots can become ubiquitous. …”
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    Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results by Se-Hee Jo (20554623)

    Published 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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