This should be done in a two-step approach. First, comptox dashboard should be used to to identify compounds of interest to search for potential omics data sets. In a second step, the retrieved IDs should be used to extract compound-specific information.
To easily search for compounds, create a mapping table beforehand based on comptox derived information.
- SID-CID-CTXSID mapping from here
- CASRN-DTXSID maaping from here
- DSSTox SDF file from here
- Synonyms mapping from here