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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“…For a RDKit molecule, it provides (i) a PNG binary string with an image of the molecule with color-highlighted functional groups; (ii) a list of sets of atom indices (idx), each set corresponding to a functional group; (iii) a list of pseudo-SMILES canonicalized strings for the full functional groups; and (iv) a list of RDKit labeled mol objects, one for each full functional group. …”
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FAR-1: A Fast Integer Reduction Algorithm Compared to Collatz and Half-Collatz
Published 2025Subjects: -
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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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Algorithm membership function.
Published 2022“…<p>(Top) Input Membership Function. The algorithm classifies glucose input into 4 sets: low, medium, high, and ex_high. …”
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Results of the application of different clustering algorithms to average functional connectivity from healthy subjects.
Published 2023“…<p>A) Resulting cluster inertia from applying the k-means algorithm described in the methods to empirical averaged functional connectivity from healthy subjects, with different numbers of clusters. …”
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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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An expectation-maximization algorithm for finding noninvadable stationary states.
Published 2020“…<i>(b)</i> Metabolic byproducts move the relevant unperturbed state from <b>R</b><sup>0</sup> (gray ‘x’) to (black ‘x’), which is itself a function of the current environmental conditions. …”
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Optimization results of different algorithms on benchmark functions.
Published 2024“…<p>Optimization results of different algorithms on benchmark functions.</p>…”
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Convergence curves of the IMGO algorithm and comparison algorithms on functions <i>f</i>14−<i>f</i>23.
Published 2024“…<p>Convergence curves of the IMGO algorithm and comparison algorithms on functions <i>f</i>14−<i>f</i>23.…”
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Convergence curves of the IMGO algorithm and comparison algorithms on functions <i>f</i>8−<i>f</i>13.
Published 2024“…<p>Convergence curves of the IMGO algorithm and comparison algorithms on functions <i>f</i>8−<i>f</i>13.…”
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Curves of sigmoid functions used in our proposed algorithm.
Published 2022“…<p>Curves of sigmoid functions used in our proposed algorithm.</p>…”
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The process of function F in the improved Blowfish algorithm.
Published 2023“…<p>The process of function F in the improved Blowfish algorithm.</p>…”
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