ToxiVerse

Upload or Retrieve Dataset

ToxiVerse accepts CSV and SDF inputs for up to 1000 chemicals. Provide a balanced set for best results. Imported or uploaded datasets will appear in the Select dataset list.

Upload a dataset

Choose a file type to upload a new dataset. For CSV, include a SMILES column and enter column names exactly as they appear (case-sensitive).

Choose file format:

CSV Download Sample CSV

SDF Download Sample SDF

Select file

Compound ID (e.g., CID; must be a property in SDF or a column in CSV)

Activity column (e.g., Activity_Binary or Activity_Reg)

SMILES column (CSV only) (e.g., SMILES)

Select dataset type

Binary

Continuous

Upload a dataset

Select dataset type

Import a PubChem Bioassay