E-cigarette flavoring additives oral-respiratory hazard prioritization data and code
收藏资源简介:
This dataset provides analysis code, processed intermediate files, and reproducibility materials for a computational toxicology project evaluating eight representative e-cigarette flavoring additives and carrier solvents as emerging indoor aerosol exposures with potential oral-respiratory hazard relevance. The package is designed as a stable public data and code record rather than as a supplement tied to one journal, one submission package, or one manuscript title. It supports analyses of compound-target integration, oral and respiratory disease-gene collection, shared-target analysis, protein-protein interaction and hub-gene prioritization, GO/KEGG enrichment, molecular docking, AlphaFold 3-assisted structure assessment, molecular dynamics and MM-PBSA summaries, ADMET profiling, public transcriptomic validation, immune infiltration analysis, Mendelian randomization using eQTLGen/FinnGen and GTEx follow-up resources, single-cell RNA-seq re-analysis, and virtual knockout/GSEA cross-validation. Large third-party public resources such as full GEO, CTD, SwissTargetPrediction, SEA, STRING, eQTLGen, GTEx, FinnGen, and OpenGWAS datasets are not redistributed. The package includes processed outputs, small source-query exports where needed for traceability, and scripts needed to trace manuscript tables and key intermediate computations. Remote server control, upload/download automation, and SSH/SFTP helper scripts are intentionally excluded because they are operational files rather than reproducibility materials.




