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algorithm python » algorithms within (Expand Search), algorithm both (Expand Search)
tree functional » three functional (Expand Search), time functional (Expand Search), state functional (Expand Search)
algorithm tree » algorithm pre (Expand Search), algorithm where (Expand Search), algorithm used (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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An expectation-maximization algorithm for finding noninvadable stationary states.
Published 2020“…<i>(c)</i> Pseudocode for self-consistently computing <b>R</b>* and , which is identical to standard expectation-maximization algorithms employed for problems with latent variables in machine learning.…”
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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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Image 4_Construction of a right ventricular function assessment model in patients undergoing invasive mechanical ventilation based on VExUS grading and the classification and regression tree algorithm.pdf
Published 2025Subjects: “…classification and regression tree (CART) algorithm…”
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Image 1_Construction of a right ventricular function assessment model in patients undergoing invasive mechanical ventilation based on VExUS grading and the classification and regression tree algorithm.pdf
Published 2025Subjects: “…classification and regression tree (CART) algorithm…”
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Image 3_Construction of a right ventricular function assessment model in patients undergoing invasive mechanical ventilation based on VExUS grading and the classification and regression tree algorithm.pdf
Published 2025Subjects: “…classification and regression tree (CART) algorithm…”
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Image 2_Construction of a right ventricular function assessment model in patients undergoing invasive mechanical ventilation based on VExUS grading and the classification and regression tree algorithm.pdf
Published 2025Subjects: “…classification and regression tree (CART) algorithm…”
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Frequency of frameshift mutations in tumor suppressor genes within TCGA and DFCI cohorts.
Published 2021Subjects: -
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Search-based testing (Genetic Algorithm) - Chapter 11 of the book "Software Testing Automation"
Published 2022“…</p> <p><br></p> <p>3. Algorithm</p> <p>Below is the main body of the test data generator program:</p> <p> </p> <p>the main body of a Python program to generate test data for Python functions.…”
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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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A Python Package for the Localization of Protein Modifications in Mass Spectrometry Data
Published 2022Subjects: -
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