Read in a CSV with a column of SMILES strings and display the molecules.
Perform a range of substitutions on aromatic 6-membered rings in those molecules.
Choose to substitute on unsubstituted carbons, or replace OH and OCH3 groups.
A list of substituted smiles will be printed below the images; these may be copied and
pasted into a text file with the extension .csv to create a new csv.
Choose a group to replace
Choose location for substitution
Choose new group to add
Performing substitutions and fetching IUPAC names from Pubchem. Please wait.
Smiles list for substituted molecules, and for original list with substituted molecules when applicable.
Export substituted molecules.
This is the work of Dr. Mauricio Cafiero and may be used widely though attribution is appreciated.
