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. …”

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. …”

Reagents, software, and algorithms used in the study with their sources for result reproduction. by Aanchal Yadav (14206853)

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

Reward function related parameters. by Honglei Pang (22693724)

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

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)

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

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)

NRPStransformer, an Accurate Adenylation Domain Specificity Prediction Algorithm for Genome Mining of Nonribosomal Peptides by Zhihan Zhang (1403308)

“…Leveraging the sequences within the flavodoxin-like subdomain, we developed a substrate specificity prediction algorithm using a protein language model, achieving 92% overall prediction accuracy for 43 frequently observed amino acids, significantly improving the prediction reliability. …”

PATH (with persistence fingerprint) runs significantly faster than TNet-BP, a representative binding affinity prediction algorithm that uses persistent homology, on larger protein-... by Yuxi Long (11024307)

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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)

Optimization Performance Comparison of Metaheuristic Algorithms. by Xie Qiu (13243770)

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

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Protein-Protein Interaction (PPI) and ceRNA Regulatory Network Analysis. by Jie Chu (293795)

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Identification and functional analysis of hub genes. by Wei Ya Lan (22403712)

“…<p>(A) Protein–protein interaction (PPI) network constructed using the STRING database with a confidence score > 0.04. …”