When importing data, why should you have to tell CDD that your column named “SMILES” contains molecule structures? Shouldn’t CDD be able to figure that out?
We now automatically select our best guess for how each header should be mapped, so you only need to click “Apply”. You can always override or ignore the best guess, and our algorithm learns over time how you map your files. We’re happy to provide additional details on how the algorithm works, and let us know if you encounter header names that you think CDD should be able to guess, but doesn’t.