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

"…In this paper, a new RDKit/Python implementation of the algorithm is described, that is both accurate and complete. …"

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

Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results حسب Se-Hee Jo (20554623)

"…A Python-based algorithm was developed for estimating the nonrandom two-liquid (NRTL) model parameters of aqueous binary systems in a straightforward manner from simplified molecular-input line-entry specification (SMILES) strings of substances in a system. …"

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

الموضوعات:

<b>Opti2Phase</b>: Python scripts for two-stage focal reducer حسب Morgan Najera (21540776)

"…</p><p dir="ltr">The package includes:</p><ul><li>Scripts for first-order analysis, third-order modeling, optimization using a Physically Grounded Merit Function (PGMF), and RMS-based refinement.…"

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

Reward function related parameters. حسب Honglei Pang (22693724)

الموضوعات:

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... حسب Jordan Moutet (21800145)

Immune infiltration analysis by ssGSEA algorithm. حسب Yubin Xue (1537042)

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

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

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

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

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

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

الموضوعات:

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

الموضوعات: "…mathematically exact algorithm…"

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

الموضوعات:

A Chemoproteomic Approach for System-Wide and Site-Specific Uncovering of Functional Protein N‑Glycosylation حسب Guoli Wang (59357)

الموضوعات:

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 finite element analysis coupled with user’s subroutine for changes in bone density. حسب Hassan Mehboob (8960273)

"…<p>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 finite element analysis coupled with user’s subroutine for changes in bone density.…"

NRPStransformer, an Accurate Adenylation Domain Specificity Prediction Algorithm for Genome Mining of Nonribosomal Peptides حسب 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. …"