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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 pca » algorithm a (Expand Search), algorithm cl (Expand Search), algorithm co (Expand Search)
pca function » gpcr function (Expand Search), a function (Expand Search), fc 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), 1 function (Expand Search)
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Explained variance ration of the PCA algorithm.
Published 2025“…<div><p>Chest X-ray image classification plays an important role in medical diagnostics. Machine learning algorithms enhanced the performance of these classification algorithms by introducing advance techniques. …”
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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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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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FAR-1: A Fast Integer Reduction Algorithm Compared to Collatz and Half-Collatz
Published 2025Subjects: -
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Reconstructing <i>sparse</i>, binary patterns using message passing algorithms and PCA.
Published 2023“…Lines depict the result of the state evolution, while crosses denote the performance of the AMP algorithm on an instance of the problem. While AMP performs the same starting from both initialisations for <i>ρ</i> = 0.1 and <i>ρ</i> = 0.3, there is a gap in performance for <i>ρ</i> = 0.05, which might hint at the existence of a hard phase (see main text). …”
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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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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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Principal Component Analysis (PCA) of the independent dataset from the HPC cohort.
Published 2021Subjects: -
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Image 1_MetaboLINK is a novel algorithm for unveiling cell-specific metabolic pathways in longitudinal datasets.jpeg
Published 2025“…For the first time, we applied the PCA-GLASSO algorithm (i.e., MetaboLINK) to metabolomics data derived from Nuclear Magnetic Resonance (NMR) spectroscopy performed on neural cells at various developmental stages, from human embryonic stem cells to neurons.…”
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Data Sheet 1_MetaboLINK is a novel algorithm for unveiling cell-specific metabolic pathways in longitudinal datasets.csv
Published 2025“…For the first time, we applied the PCA-GLASSO algorithm (i.e., MetaboLINK) to metabolomics data derived from Nuclear Magnetic Resonance (NMR) spectroscopy performed on neural cells at various developmental stages, from human embryonic stem cells to neurons.…”