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. …”

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. …”

A parabolic relationship between prediction errors and learning rates obtained by a cubic learning algorithm. by Boluwatife Ikwunne (22238697)

Reward function related parameters. by Honglei Pang (22693724)

Subjects:

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

Comparison of UACI among different algorithms. by Feixian Liu (22477943)

“…Based on the 2D-SQSM, this paper further designs a highly robust color image encryption algorithm. First, by introducing different hash functions multiple times, the correlation between the key and plaintext is enhanced, significantly improving resistance against brute-force attacks; second, cyclic shifting and segmentation-recombination operations are applied separately to the three RGB channels to effectively disrupt pixel distribution and significantly reduce spatial correlation between pixels; finally, the chaotic sequence generated by the 2D-SQSM is utilized for XOR diffusion, further enhancing the randomness and diffusion capability of the ciphertext. …”

Comparison of NPCR among different algorithms. by Feixian Liu (22477943)

“…Based on the 2D-SQSM, this paper further designs a highly robust color image encryption algorithm. First, by introducing different hash functions multiple times, the correlation between the key and plaintext is enhanced, significantly improving resistance against brute-force attacks; second, cyclic shifting and segmentation-recombination operations are applied separately to the three RGB channels to effectively disrupt pixel distribution and significantly reduce spatial correlation between pixels; finally, the chaotic sequence generated by the 2D-SQSM is utilized for XOR diffusion, further enhancing the randomness and diffusion capability of the ciphertext. …”

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)

Subjects:

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. …”

Results obtained by different algorithms on 23 benchmark functions. by Yuqi Xiong (12343771)

Subjects:

Convergence curves obtained by different algorithms on 23 benchmark functions. by Yuqi Xiong (12343771)

Subjects:

Different algorithms in 23 benchmark functions to obtain partial boxplot. by Yuqi Xiong (12343771)

Subjects:

Results obtained by different algorithms on CEC2022 benchmark functions. by Yuqi Xiong (12343771)

Subjects:

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

Subjects:

Convergence curves obtained by different algorithms on CEC2022 benchmark functions. by Yuqi Xiong (12343771)

Subjects:

Design and implementation of DelaySSA. The input data for DelaySSA are reaction information, initial states, parameters and delays. Combining these into the simulation function, th... by Ziyan Jin (21021976)