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. …”

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

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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.…”

Distribution of cross correlations in functional connectivity in ABIDE sample. by Alexandria M. Jensen (6494957)

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Studies with ML classification algorithms for distinguishing ASD and ADHD groups described in subsection 1.2. by Caroline L. Alves (14271413)

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

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

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

Average classification accuracies for fft and stack methods, LSTM, Bi-LSTM, and CNN algorithms. by Jamila Akhter (21144252)

Logistic kernel: Power and Type I error for cluster evaluation metric simulations. by Alexandria M. Jensen (6494957)

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Linear kernel: Power and Type I error for cluster evaluation metric simulations. by Alexandria M. Jensen (6494957)

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Variations of loss functions versus epoch number. by Xueliang Guo (4797057)

Analyses of Immune microenvironment and functions between gene clusters by Jiangli Zhao (2308330)

Generated blended data using mouse brain cells and human embryonic heart cells, labeled as <i>Mix</i>[<i>a</i>,<i>b</i>,<i>c</i>], indicates the proportion of mouse brain cells fou... by Nuray Sogunmez Erdogan (21533872)

<b>Functional excitation-inhibition ratio indicates near-critical oscillations across frequencies</b> by Marina Diachenko (19739092)

“…We recently introduced an algorithm to determine a functional E/I ratio based on the critical brain dynamics that emerge in neuronal networks balancing between order and disorder. …”

Precise spatial delineation of brain cell types in adult mouse brain. by Nuray Sogunmez Erdogan (21533872)

Analyses of Immune microenvironment and functions between m7G clusters. by Jiangli Zhao (2308330)

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)

Examples of four simulated networks and adjacency matrices. by Alexandria M. Jensen (6494957)

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