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. …”

The convergence curve of each optimization algorithm under the test function. by Hao Yang (328526)

Efficient Algorithms for GPU Accelerated Evaluation of the DFT Exchange-Correlation Functional by Ryan Stocks (16867476)

“…In contrast, for smaller and denser systems such as diamond nanoparticles, especially if employing large basis sets, algorithms that use the underlying molecular orbital coefficients offer superior performance, despite their higher formal scaling. …”

Types of training algorithms. by Caixia Yan (6647072)

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. …”

Algorithm pseudocode. by Cheng-jie Chen (22272090)

Subjects:

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

The structure of genetic algorithm (GA). by Ali Akbar Moosavi (17769033)

“…First, physico-chemical inputs as bulk density (BD), initial water content (W_i), saturated water content (W_s), mean weight diameter (MWD), and geometric mean diameter (GMD) of aggregates, pH, electrical conductivity (EC), and calcium carbonate equivalent (CCE) were measured. Then, radial basis functions (RBFNNs), multilayer perceptron (MLPNNs), hybrid genetic algorithm (GA-NNs), and particle swarm optimization (PSO-NNs) neural networks were utilized to develop PTFs and compared their accuracy with the traditional regression model (MLR) using statistical indices. …”

Matlab code of a function used in S2 File. by Hiroko Kato Solvang (5718250)

Reward function related parameters. by Honglei Pang (22693724)

Subjects:

DMTD algorithm. by Yunhu Huang (21402795)

Subjects:

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

Effect of the transmission probability function on epidemic spread. by Soler Gabriela Bayolo (21011810)

Cost function calculated by QA with different hyperparameters. by Takuro Matsuta (21608505)

Subjects: “…currently available algorithms…”

Cost function calculated by SA with different hyperparameters. by Takuro Matsuta (21608505)

Subjects: “…currently available algorithms…”

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)

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

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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. …”