ToxiVerse

Bioprofiler

This module builds bioprofile for chemicals using PubChem bioactvity data and fill experimental gaps. You can upload up to 500 chemicals (by PubChem CID). Assays with at least one active compound are selected; mutual information identifies 35 informative assays; then Random Forest models (trained on up to 500 actives and 500 inactives per informative assay) impute missing values.

Upload a file containing PubChem CIDs (one per line) to profile by bioactivity data. Accepted formats: .txt or .csv, single column. If you have other identifiers (e.g., SMILES), use PubChem’s batch converter: ID Exchange

Download Sample CSV Download Sample TXT

Upload Dataset File (Formats: .txt, .csv; max 500 CIDs) File must be a single column of CIDs. Empty lines are ignored.

After submission, you will be redirected to a page with your Job ID. It may take 20 minutes on average to complete. The link will be accessible for 24 hours from submission and can be bookmarked.