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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
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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 pre » algorithm where (Expand Search), algorithm used (Expand Search), algorithm from (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: -
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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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Python-based Monte Carlo Simulation Tool
Published 2024Subjects: “…Monte Carlo simulation, Radiation transfer, Multiple scattering algorithm, Temporal correlation function…”
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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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Prediction performance of different optimization algorithms.
Published 2021“…<p>(A) 3 algorithms were compared in terms of the residuals of the cost function of the optimized TF on 7 mice datasets (Derivative free algorithm failed in optimizing a TF in a mouse). …”
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Average function evaluation times of the three optimization algorithms.
Published 2025“…<p>Average function evaluation times of the three optimization algorithms.…”