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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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The AD-PSO-Guided WOA LSTM algorithm RMSE is based on the objective function compared to different algorithms.
Published 2025“…<p>The AD-PSO-Guided WOA LSTM algorithm RMSE is based on the objective function compared to different algorithms.…”
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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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The eVIP algorithm uses RNA-seq data to predict the function of somatic mutations.
Published 2021Subjects: -
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Automatic translation error detection based on fuzzy decision tree algorithm.
Published 2025Subjects: -
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