2026-10-15T23:11:31Z https://data.mendeley.com/oai

oai:data.mendeley.com/3yhgz8bdsv.1 2026-04-07T01:45:06Z

Yang, Zhibin Supporting Information: Integrated Machine Learning, QSAR, SHAP, and Molecular Dynamics Pipeline for Peptide Activity Analysis Mendeley Data This repository contains the comprehensive computational workflow, source code, input datasets, and output results for the identification, evaluation, and modeling of active peptides. The analytical pipeline integrates multi-criteria decision-making (MCDM), Quantitative Structure-Activity Relationship (QSAR) machine learning modeling, SHAP-based interpretability, and Molecular Dynamics (MD) simulation trajectory analysis. Machine Learning Quantitative Structure-Activity Relationship Molecular Dynamics Venom Peptide Omics Virtual Screening Dataset doi:10.17632/3yhgz8bdsv.1 oai:data.mendeley.com/3yhgz8bdsv.1 Creative Commons Attribution 4.0 International http://creativecommons.org/licenses/by/4.0 https://data.mendeley.com/datasets/3yhgz8bdsv 2026-04-07T01:45:06Z