ToxiVerse

Dataset upload

Data uploaded to ToxiVerse can be in the Comma-Separated Values (CSV) or Structure Data Format (SDF) format. Please check the sample files provided below.

Upload a dataset.

Please choose a file type to upload a new dataset. Dataset should be in an CSV or SDF file. For CSV file, it must contain a column named "SMILES" contains SMILES information for each record.

Choose file format:

CSV Download Sample CSV

SDF Download Sample SDF

Compound ID (has to be a property in the SDFile or a column in CSV file):

Activity name (has to be a property in the SDF or a column in CSV file):

SMILES column name (Only for CSV file):

Select Dataset Type:

Binary

Continuous

Dataset upload

Upload a dataset.

Select Dataset Type:

Import a PubChem Bioassay.