EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit by Gonzalo Colmenarejo (650249)

“…Functional groups are widely used in organic chemistry, because they provide a rationale to analyze physicochemical and reactivity properties. …”

Overview of the algorithm used to calculate Lyapunov exponents for assessing the stability and chaotic behavior of dynamical systems. by Adil Jhangeer (9711917)

Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results by Se-Hee Jo (20554623)

“…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). …”

<b>Opti2Phase</b>: Python scripts for two-stage focal reducer by Morgan Najera (21540776)

“…<p dir="ltr"><b>Opti2Phase: Python Scripts for Two-Stage Focal Reducer Design</b></p><p dir="ltr">The folder <b>Opti2Phase</b> contains the Python scripts used to generate the results presented in the manuscript. …”

Reward function related parameters. by Honglei Pang (22693724)

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Cost functions implemented in Neuroptimus. by Máté Mohácsi (20469514)

Gillespie algorithm simulation parameters. by Nicholas H. Vitale (20469289)

“…Both the ensemble and stochastic models presented in this work have been verified using Monte Carlo molecular dynamic simulations that utilize the Gillespie algorithm. …”

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 finit... by Hassan Mehboob (8960273)

Contrast enhancement of digital images using dragonfly algorithm by Soumyajit Saha (19726163)

“…The article deals with contrast enhancement as an optimization problem and uses the Dragonfly Algorithm (DA) to find the optimal grey-level intensity values. …”

Explained variance ration of the PCA algorithm. by Abeer Aljohani (18497914)

“…<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. …”

PyNoetic’s classification module supports a range of popular and widely used ML classification models with just a single line of function call. by Gursimran Singh (575288)

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Quantum Simulation of Molecular Dynamics ProcessesA Benchmark Study Using a Classical Simulator and Present-Day Quantum Hardware by Tamila Kuanysheva (21546962)

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A Genetic Algorithm Approach for Compact Wave Function Representations in Spin-Adapted Bases by Maru Song (22593561)

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Multidimensional Morse/Long-Range Potential Energy Surface and Predicted Rotational Spectra of the CH₄–N₂ Complex by Xiao-Long Zhang (299838)

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Dataset of networks used in assessing the Troika algorithm for clique partitioning and community detection by Samin Aref (4683934)

“…Each network is provided in .gml format or .pkl format which can be read into a networkX graph object using standard functions from the networkX library in Python. …”

Image 4_Construction of a right ventricular function assessment model in patients undergoing invasive mechanical ventilation based on VExUS grading and the classification and regre... by Jun Gao (203098)

“…Objective<p>Investigate the correlation between right ventricular function ultrasound indicators and the Venous Excess Ultrasound (VExUS) grading system in patients undergoing invasive mechanical ventilation (IMV), and develop a right ventricular function assessment model using VExUS grading and the Classification and Regression Tree (CART) algorithm.…”

Image 1_Construction of a right ventricular function assessment model in patients undergoing invasive mechanical ventilation based on VExUS grading and the classification and regre... by Jun Gao (203098)

“…Objective<p>Investigate the correlation between right ventricular function ultrasound indicators and the Venous Excess Ultrasound (VExUS) grading system in patients undergoing invasive mechanical ventilation (IMV), and develop a right ventricular function assessment model using VExUS grading and the Classification and Regression Tree (CART) algorithm.…”

Image 3_Construction of a right ventricular function assessment model in patients undergoing invasive mechanical ventilation based on VExUS grading and the classification and regre... by Jun Gao (203098)

“…Objective<p>Investigate the correlation between right ventricular function ultrasound indicators and the Venous Excess Ultrasound (VExUS) grading system in patients undergoing invasive mechanical ventilation (IMV), and develop a right ventricular function assessment model using VExUS grading and the Classification and Regression Tree (CART) algorithm.…”

Image 2_Construction of a right ventricular function assessment model in patients undergoing invasive mechanical ventilation based on VExUS grading and the classification and regre... by Jun Gao (203098)

“…Objective<p>Investigate the correlation between right ventricular function ultrasound indicators and the Venous Excess Ultrasound (VExUS) grading system in patients undergoing invasive mechanical ventilation (IMV), and develop a right ventricular function assessment model using VExUS grading and the Classification and Regression Tree (CART) algorithm.…”

Flowchart of proposed fitness function algorithm. by Ferhat Yuna (21519851)

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