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algorithms python » algorithms within (Expand Search), algorithm within (Expand Search), algorithms often (Expand Search)
python function » protein function (Expand Search)
etc function » spc function (Expand Search), fc function (Expand Search), npc function (Expand Search)
_ function » _ functional (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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FAR-1: A Fast Integer Reduction Algorithm Compared to Collatz and Half-Collatz
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Convergence curves obtained by different algorithms on 23 benchmark functions.
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Convergence curves obtained by different algorithms on CEC2022 benchmark functions.
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Modular architecture design of PyNoetic showing all its constituent functions.
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A detailed process of iterative simulation coupled with bone density algorithm; (a) a function of stimulus and related bone density changes, and (b) iterative calculations of finite element analysis coupled with user’s subroutine for changes in bone density.
Published 2025“…<p>A detailed process of iterative simulation coupled with bone density algorithm; (a) a function of stimulus and related bone density changes, and (b) iterative calculations of finite element analysis coupled with user’s subroutine for changes in bone density.…”