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

“…Ertl’s algorithm is an approach to extract functional groups in arbitrary organic molecules that does not depend on predefined libraries of functional groups. …”

Mean and covariance estimation of functional data streams by Mingxue Quan (13282368)

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Parameters of the genetic algorithm. by Jian Ma (170138)

Performance profiles of these algorithms on the basis of the number of function evaluations. by Xianfeng Ding (535904)

“…<p>Performance profiles of these algorithms on the basis of the number of function evaluations.…”

The schematic view of the Radial Basis Function (RBF) algorithm. by Mohsen Yoosefzadeh-Najafabadi (6917399)

“…<p>The schematic view of the Radial Basis Function (RBF) algorithm.</p>…”

DMTD algorithm. by Yunhu Huang (21402795)

“…On the basis of EITO_E, we propose EITO_P algorithm using the PPO algorithm to optimize multiple objectives by designing reinforcement learning strategies, rewards, and value functions. …”

Affiliation function of unwinding tension deviation bias <i>e</i>. by Yanjun Xiao (1993411)

Affiliation function of polar slice correction bias <i>e</i>. by Yanjun Xiao (1993411)

Listed python codes of our algorithm with explanations (Python 3.9 recommended). by Takayuki Niizato (162226)

Python-based Monte Carlo Simulation Tool by Yangfan Jiang (9372782)

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). …”

The “Bubblepole” (BUPO) Method for Linear-Scaling Coulomb Matrix Construction with or without Density Fitting by Frank Neese (736441)

Subjects:

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

“…</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.…”

The proposed feature extraction algorithm. by Ali Ahmed (2567584)

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The experiment result comparison of algorithms. by Siyu Li (404947)

“…Taking the example of HSR freight network consisting of 50 cities in China, numerical experiments are conducted on the basis of forecasting data from the real-life express market to obtain the hub location schemes. …”

Framework of the proposed signal control algorithm. by Hyosun Lee (1567246)

Comparison of algorithms in two cases. by Yi Tao (178829)

Subjects: “…evolutionary genetic algorithm…”

Flow of the NSGA-II algorithm. by Yi Tao (178829)

Subjects: “…evolutionary genetic algorithm…”

Convergence curve of real power transmission line loss minimization by using (a) the HFPSO algorithm and (b) the PSO algorithm. by Abdullah Khan (377292)

Disparities in real-world social anxiety of user’s preferences on algorithm matching. by Linsha Liu (20378293)

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