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Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results
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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<b>Opti2Phase</b>: Python scripts for two-stage focal reducer
Published 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
Published 2025“…Functional groups are widely used in organic chemistry, because they provide a rationale to analyze physicochemical and reactivity properties. …”
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Explained variance ration of the PCA algorithm.
Published 2025“…We developed a mechanism which converts a given medical image to a spectral space which have a base set composed of special functions. …”
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Dataset of networks used in assessing the Troika algorithm for clique partitioning and community detection
Published 2025“…Each network is provided in .gml format or .pkl format which can be read into a networkX graph object using standard functions from the networkX library in Python. …”
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Performance comparison of different algorithms.
Published 2025Subjects: “…target gravitational function…”
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Algorithm Parameter Setting.
Published 2025“…This strategy uses the improved D3QN algorithm combined with the excellent smoothness of the sine function to evaluate driving safety, helping vehicles find suitable gaps in traffic flow. …”
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Pseudo-code of DMDDPG algorithm.
Published 2025“…The simulation results indicate that the proposed algorithm, which models the first three joints and the last three joints of the robotic arm as multi-agents, demonstrates not only enhanced adaptability but also faster and more stable convergence.…”
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The pseudocode for the NAFPSO algorithm.
Published 2025“…A scheduling optimization model based on the particle swarm optimization (PSO) algorithm is proposed. In view of the high-dimensional complexity and local optimal problems, the neighborhood adaptive constrained fractional particle swarm optimization (NACFPSO) algorithm is used to solve it. …”
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PSO algorithm flowchart.
Published 2025“…A scheduling optimization model based on the particle swarm optimization (PSO) algorithm is proposed. In view of the high-dimensional complexity and local optimal problems, the neighborhood adaptive constrained fractional particle swarm optimization (NACFPSO) algorithm is used to solve it. …”
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Genetic algorithm flowchart.
Published 2024“…To validate the effectiveness of the proposed model and algorithm, numerical experiments were performed, which took an urban area in China as an example. …”
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Flowchart of proposed algorithm.
Published 2025“…<div><p>Traditional routing protocols in MANETs, such as AODV, do not take energy consumption into account, which leads to inefficient utilization of the limited battery resources. …”