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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (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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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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Fractal dimension of cortical functional connectivity networks & severity of disorders of consciousness
Published 2020“…We used a Compact Box Burning algorithm to compute the fractal dimension of cortical functional connectivity networks as well as computing the fractal dimension of the associated adjacency matrices using a 2D box-counting algorithm. …”
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FAR-1: A Fast Integer Reduction Algorithm Compared to Collatz and Half-Collatz
Published 2025Subjects: -
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An expectation-maximization algorithm for finding noninvadable stationary states.
Published 2020“…<i>(c)</i> Pseudocode for self-consistently computing <b>R</b>* and , which is identical to standard expectation-maximization algorithms employed for problems with latent variables in machine learning.…”
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