Supplementary data and code for oxygenated polycyclic aromatic hydrocarbon (OPAH)-induced colorectal cancer (CRC) study

This dataset contains the custom analytical scripts and data files generated for the study titled: "Deciphering molecular mechanisms underlying oxygenated polycyclic aromatic hydrocarbon exposure-induced colorectal cancer progression via an integrated computational toxicology and AI-driven multi-omics framework with experimental validation".The contents are organized into the following 14 compressed archives by analysis module:(1) Toxicity and permeability predictions for OPAHs and PAHs;(2) Polycyclic aromatic hydrocarbon (PAH) and Oxygenated polycyclic aromatic hydrocarbon (OPAH) target genes;(3) Protein–protein interaction (PPI) network files;(4) Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses;(5) Mendelian randomization analysis data;(6) Diagnostic model construction data;(7) Prognostic model construction data;(8) Diagnostic and prognostic evaluation of OPAH‑induced CRC‑related genes;(9) Single‑cell RNA‑sequencing data;(10) Molecular docking data;(11) Molecular dynamics (MD) simulation data;(12) Surface plasmon resonance (SPR) binding data; and(13–14) Virtual knockout and overexpression results for CDK1.All compressed archives are organized by analysis module. The analyses were performed using R software (version 4.2.2) and standard bioinformatics tools. For correspondence, please contact: [e-mail].