Input DataToxEraser Solvents has a user-friendly graphical interface, where the user adds the ingredient to substitute (using a SMILES), and the similarity threshold.
Download the ResultsThe user can simply and quickly download the results by clicking the ‘Download’ button in the GUI. Then, the user is requested to select the directory for the output file.
Matching with the DatabaseThe software provides (if found) a matching molecule from the database, with all its details. If the molecule is not present in the database, no match will be possible.
List of Safer SubstituentsThe software provides a list of safer substituents in a decreasing order of similarity, from the most similar to the least similar, with all the details for each solvent. The assessment provided by each list is explicated.