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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
python function » protein function (Expand Search)
algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
python function » protein function (Expand Search)
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EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit
Published 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
Published 2025Subjects: “…differential evolution algorithm…”
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Search Algorithms and Loss Functions for Bayesian Clustering
Published 2022“…<p>We propose a randomized greedy search algorithm to find a point estimate for a random partition based on a loss function and posterior Monte Carlo samples. …”
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Python-based Monte Carlo Simulation Tool
Published 2024Subjects: “…Monte Carlo simulation, Radiation transfer, Multiple scattering algorithm, Temporal correlation function…”
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The optimal solution set of NYN by using different algorithms.
Published 2022Subjects: “…evolutionary genetic algorithm…”
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The optimal solution set of HN by using different algorithms.
Published 2022Subjects: “…evolutionary genetic algorithm…”
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Comparison of the curves of the DCIOU loss function and the CIOU loss function.
Published 2025Subjects: -
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Loss function values of target detection algorithms during training.
Published 2024“…<p>Loss function values of target detection algorithms during training.…”
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