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. …”

Listed python codes of our algorithm with explanations (Python 3.9 recommended). by Takayuki Niizato (162226)

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.…”

Python-based Monte Carlo Simulation Tool by Yangfan Jiang (9372782)

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

Subjects:

Comparison of different algorithms. by Jiandong Qiu (20389944)

Individual expression tree. by Jin Ding (11522)

“…<div><p>Gene expression programming (GEP) is one of the most prominent algorithms in function mining. …”

Data_Sheet_1_Decoding emotional resilience in aging: unveiling the interplay between daily functioning and emotional health.PDF by Minhua Guo (18392646)

The eVIP algorithm uses RNA-seq data to predict the function of somatic mutations. by Alexis M. Thornton (11068403)

Subjects:

Gene content overlap in <i>RNF43 G659fs</i> mutation-specific pathways. by Alexis M. Thornton (11068403)

Subjects:

Discriminant function analysis results represented in multivariate space. by Thiago Orion Simões Amorim (6808244)

Subjects:

Average quality scores of the models of the analysis set as a function of the <i>w</i>_<i>SP</i> with which the DOPE potential has been included in the objective function... by Giacomo Janson (8138517)

The repair algorithm restores the electrophysiological behaviour of cut and repaired mouse pyramidal cells and allows for better predictions of neuronal function in human neurons. by Moritz Groden (18018276)

An expectation-maximization algorithm for finding noninvadable stationary states. by Robert Marsland (8616483)

“…<i>(b)</i> Metabolic byproducts move the relevant unperturbed state from <b>R</b>⁰ (gray ‘x’) to (black ‘x’), which is itself a function of the current environmental conditions. …”

Python scripts used to model CPU errors by Poisson distribution density mass function and to draw graph of Poisson events (needs Matplot, SciPy, PysimpleGUI and NumPy) by Santhosh Kumar Rajamani (13023678)

Hypothetical example illustrating how the <i>search</i>.<i>conv</i> function algorithm works. by Silvia Castiglione (5010581)

Image 1_Construction of a right ventricular function assessment model in patients undergoing invasive mechanical ventilation based on VExUS grading and the classification and regression tree algorithm.pdf by Jun Gao (203098)

Subjects: “…classification and regression tree (CART) algorithm…”

The details of the Scelestial algorithm. by Mohammad-Hadi Foroughmand-Araabi (6658772)

“…<p>The inputs to the Scelestial algorithm are a) a set of sequences <i>S</i>, b) the degree of restriction of the restricted Steiner tree <i>k</i>. …”

Proposed decision tree algorithm for thromboelastometry parameters to differentiate COVID-19 patients according to disease severity. by Rodrigo B. Aires (11949690)