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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
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algorithm used » algorithms used (Expand Search), algorithm based (Expand Search), algorithms based (Expand Search)
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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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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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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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DE algorithm flow.
Published 2025“…In the experiments, optimization metrics such as kinematic optimization rate (calculated based on the shortest path and connectivity between functional areas), space utilization rate (calculated by the ratio of room area to total usable space), and functional fitness (based on the weighted sum of users’ subjective evaluations and functional matches) all perform well. …”
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Test results of different algorithms.
Published 2025“…In the experiments, optimization metrics such as kinematic optimization rate (calculated based on the shortest path and connectivity between functional areas), space utilization rate (calculated by the ratio of room area to total usable space), and functional fitness (based on the weighted sum of users’ subjective evaluations and functional matches) all perform well. …”
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Completion times for different algorithms.
Published 2025“…Additionally, value function normalization and adaptive learning rate strategies are applied to accelerate convergence. …”
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The average cumulative reward of algorithms.
Published 2025“…Additionally, value function normalization and adaptive learning rate strategies are applied to accelerate convergence. …”
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