Pipeline of the interactor algorithm. by Jose Cleydson F. Silva (8685594)

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.…”

Depiction of how the label of is assigned as a function of whether are identical (row =), nested (rows ), or partially overlapping (row “else”), and as a function of the labels of... by Jordan Moutet (21800145)

Immune infiltration analysis by CIBERSORT algorithm. by Lanying Shen (22755930)

Immune infiltration analysis by CIBERSORT algorithm. by Lanying Shen (22755930)

The results of LASSO regression algorithm. by Xue Fu (549661)

The algorithm is designed to identify patterns in the treatment dataset. by Belén Otero-Carrasco (21262360)

“…<p>This process involves two key functions. First, from lines 1 to 8, the algorithm identifies amino acids that meet the occurrence threshold, starting with patterns of length 1. …”

A) Ranking of models trained on different feature sets across all tested algorithms, sorted by their F1-score. by Jose Cleydson F. Silva (8685594)

2025-01-14 - PAG Talk - Kmerseek - Olga Botvinnik - Seanome by Olga Botvinnik (20571431)

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Top-ranked hub genes identified by 5 cytoHubba algorithms. by Jun Li (6494)

Left: the algorithm’s best estimate of where to put breakpoints for each number of breakpoints considered. by Zhengtian Li (5076704)

The GOR4 and SOPMA algorithm findings. by Ahmad Abdullah Mahdeen (19704401)

Core genes were selected through PPI analysis based on three algorithms. by Dong-Hee Han (140305)

“…<b>(B)</b> The priority of the top 10 genes was evaluated through MNC, which identifies clusters of protein nodes that are more functionally connected to each other and selects the central proteins within the cluster. …”

(a-b) The LASSO algorithm was used for hyperparameter tuning and identification of the important predictive features. by Devi Soorya Narayana Sasikumar (22331743)

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Two protein-ligand complexes shown with their persistence fingerprint. by Yuxi Long (11024307)

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PATH has state-of-the-art performance versus previous binding affinity prediction algorithms. by Yuxi Long (11024307)

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MEDOC: A Fast, Scalable, and Mathematically Exact Algorithm for the Site-Specific Prediction of the Protonation Degree in Large Disordered Proteins by Martin J. Fossat (3714079)

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