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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 ai » algorithm a (Expand Search), algorithm _ (Expand Search), algorithm b (Expand Search)
ai function » api function (Expand Search), a function (Expand Search), gi function (Expand Search)
algorithm i » algorithm _ (Expand Search), algorithm b (Expand Search), algorithm a (Expand Search)
i function » _ function (Expand Search), a function (Expand Search), link function (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 2025“…This algorithm conducts a series of procedures: (1) fragmentation of the molecules into functional groups from SMILES, (2) calculation of activity coefficients under predetermined temperature and mole fraction conditions by employing universal quasi-chemical functional group activity coefficient (UNIFAC) model, and (3) regression of NRTL model parameters by employing UNIFAC model simulation results in the differential evolution algorithm (DEA) and Nelder–Mead method (NMM). …”
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<b>Opti2Phase</b>: Python scripts for two-stage focal reducer
Published 2025“…</li></ul><p dir="ltr">The scripts rely on the following Python packages. Where available, repository links are provided:</p><ol><li><b>NumPy</b>, version 1.22.1</li><li><b>SciPy</b>, version 1.7.3</li><li><b>PyGAD</b>, version 3.0.1 — https://pygad.readthedocs.io/en/latest/#</li><li><b>bees-algorithm</b>, version 1.0.2 — https://pypi.org/project/bees-algorithm</li><li><b>KrakenOS</b>, version 1.0.0.19 — https://github.com/Garchupiter/Kraken-Optical-Simulator</li><li><b>matplotlib</b>, version 3.5.2</li></ol><p dir="ltr">All scripts are modular and organized to reflect the design stages described in the manuscript.…”
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Exponentially attenuated sinusoidal function.
Published 2025“…A multi-objective optimization method based on non-dominated sorting was integrated into the crayfish optimization algorithm (MOCOA). To optimize the key parameters <i>K</i> and in variational mode decomposition (VMD), a MOCOA-VMD technique specifically tailored for ECG signal processing was developed. …”
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Table 1_Diagnostic performance of artificial intelligence in detecting oral potentially malignant disorders and oral cancer using medical diagnostic imaging: a systematic review an...
Published 2024“…</p>Conclusion<p>These findings suggest that AI algorithms have the potential to function as reliable tools for the early diagnosis of OPMDs and oral cancer, offering significant advantages, particularly in resource-constrained settings.…”
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GeoUrbNet: A Multi-Source Graph-Based Framework and Dataset for Urban Building Function Analysis
Published 2025“…We construct a knowledge graph linking over 1 million buildings in Wuhan (2009–2021), generate a GraphSAGE-based prediction model, and propose the ST-GraphMiner algorithm for temporal pattern mining. …”
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Data Sheet 1_Understanding acceptance and resistance toward generative AI technologies: a multi-theoretical framework integrating functional, risk, and sociolegal factors.docx
Published 2025“…Additionally, the manuscript now highlights demographic diversity, including variations in age, gender, and academic discipline, as relevant to AI adoption patterns. Ethical concerns, including algorithmic bias, data ownership, and the labor market impact of AI, are addressed to offer a more holistic understanding of resistance behavior. …”
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The PF of ten comparative algorithms on the MMF1 test function.
Published 2025“…<p>The PF of ten comparative algorithms on the MMF1 test function.</p>…”