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

“…For a RDKit molecule, it provides (i) a PNG binary string with an image of the molecule with color-highlighted functional groups; (ii) a list of sets of atom indices (idx), each set corresponding to a functional group; (iii) a list of pseudo-SMILES canonicalized strings for the full functional groups; and (iv) a list of RDKit labeled mol objects, one for each full functional group. …”

Function <i>χ</i>_<i>opt</i> superimposed with the phase-field function indicating the channel geometry. by Martina Bukač (20161460)

FAR-1: A Fast Integer Reduction Algorithm Compared to Collatz and Half-Collatz by Faizan Ali (21689861)

Subjects:

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)

“…</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.…”

Membership function of output for tank 1. by Tamiru Demelash Kassie (20678515)

Parameters to configure the multi-staged vascularization using the PDCCO algorithm. by Eduardo G. Zilves (22209247)

Membership function of error E1 for tank 1. by Tamiru Demelash Kassie (20678515)

Membership function of change in error ΔE1 for tank 1. by Tamiru Demelash Kassie (20678515)

Flow chart of CTCMKT. by Yu Liu (6938)

“…To enhance the algorithm’s global optimization capabilities and stability, an enhanced CTCM (CTCMKT) is proposed, which integrates a joint strategy of Kent chaotic mapping and <i>t</i>- distribution mutation. …”

Reverse engineering information flow using stimulus-encoding and stimulus-transfer estimation algorithms. by Gabriel Matías Lorenz (21094672)

Image Clarity Processing Flow. by Cheng-jie Chen (22272090)

“…The experimental results show that the proposed method enhances the image with a PCQI of 1.033, an IQE of 0.610, an IQM of 1.830, and an information entropy higher than 0.7. …”

Continuous Flow Chemistry and Bayesian Optimization for Polymer-Functionalized Carbon Nanotube-Based Chemiresistive Methane Sensors by John H. Dunlap (5954933)

Subjects:

The instance of MaxCasesAverted and MaxPeaksReduced is a graph <i>G</i> constructed from the given instance of Max k-SI. by Jeffrey Keithley (14626551)

DE algorithm flow. by Ling Zhao (111365)

Training algorithm flow. by Xing Chen (140292)

Geometric interpretation and data visualisation equivalent describing the DI algorithmic pipeline. by Borjan Milinkovic (21349908)

A flow diagram to explain the algorithm named 2BDP (Biomarker Discovery Process at Binomial Decision Point) that we used to find the best fitting model to predict RRiF. by Nabarun Chakraborty (535772)

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)

Workflow of the BOMS algorithm. by Ocima Kamboj (21533199)