Supplementary data and code for "Integrative network toxicology and molecular modeling prioritize MMP9 and FLT3 as candidate nodes linking DEHP target predictions to acute myeloid leukemia transcriptomic signatures"

This repository contains supplementary datasets, source data, analysis code, docking parameters, molecular docking output files, molecular dynamics source-data indices, and figure-related data supporting the manuscript entitled “Integrative network toxicology and molecular modeling prioritize MMP9 and FLT3 as candidate nodes linking DEHP target predictions to acute myeloid leukemia transcriptomic signatures”. The repository includes S1–S9 supplementary tables, GEO dataset information, DEHP target prediction results, AML differential expression and WGCNA-derived gene lists, machine-learning performance metrics with bootstrap AUC 95% confidence intervals, MMP9 expression-direction verification across cohorts, docking grid parameters, docking scores, and molecular dynamics source-data files or indices. The original public transcriptomic datasets were obtained from GEO.