Read in a CSV with molecular data and choose a molecule to view based on data values.
CSV should have a column labeled SMILES in order to generate molecules.
Each row should be delimited by commas.
Longer column titles may be truncated.
To start, upload your CSV files and press "read data from CSV."
Choose a property to be attached to the molecule selector from the drop down menu.
If it does not populate the "choose a molecule by property" list, press the
"choose property for molecule selection" button.
Choose the property value for the molecule you want to examine, then press the
"display molecule and properties" button.
This is the work of Dr. Mauricio Cafiero and may be used widely though attribution is appreciated.
