ToxiVerse

Chemical curator

Proper chemical curation is a crucial step in Quantitative Structure-Activity Relationship development. This module cleans chemical structures and prepares them by using the following steps:

Check and clean chemical structures.
Standardize chemical structure representation (e.g, updating valencies, removing charges, etc.).
Strip salts and remove mixtures by keeping the largest organic component.
Merge or remove duplicated structures.

Select Dataset:

Select how to handle duplicates:

Merge and take highest activity

Merge and take lowest activity

Remove all

Replace dataset or create new:

Replace dataset

Create new dataset