90 neurotoxicity-related protein targets for the plasticizer DOTP, identified via computational network toxicology and molecular docking. The dataset includes results from protein-protein interaction analysis, GO/KEGG enrichment, and molecular dynamics simulations, published by Hao Tang on figshare in 2026. The 26.6 KB CSV file contains data supporting the integrated computational and in vivo study.
Use Cases
- Training models to predict chemical-protein binding affinities based on molecular docking results.
- Analyzing protein-protein interaction networks for neurotoxicity based on the identified core targets (EGFR, BCL2, CASP3, etc.).
- Conducting pathway enrichment analysis based on the GO and KEGG results for the 90 intersecting targets.
- Validating computational toxicology predictions with in vivo experimental data mentioned in the study.
Strengths
- Data is derived from an integrated methodology combining network toxicology, molecular docking, and molecular dynamics simulations.
- Results are linked to specific in vivo validation experiments described in the study.
- File is openly available under a CC-BY-4.0 license.
Limitations
- Row count and column-level documentation are unknown, requiring manual inspection after download.
- The dataset is small at 26.6 KB, indicating limited scope.
- Data may reflect the specific experimental and computational bias of the single study.
Provenance
- Source
- Hao Tang via figshare.
- Collection Method
- Computational prediction (SEA, SwissTargetPrediction, SuperPred, STRING, AutoDock, GROMACS) combined with in vivo mouse model experiments.
- Time Range
- Study publication date is 2026.
- Freshness
- Last updated 2026-04-10 05:58:37.
- Geography
- null