Results

Figure 2. The Modifications section from CoPilot displays the 5 outputs

The Modifications section (as indicated in Figure 2) provides detailed information on each of the 5 outputs. The result includes:
1. Smiles of the edited molecule.
2. A 2D image of the edited molecule.
3. A description of the improvement made by CoPilot and the reasoning behind the decision.
4. Quantitative estimation of drug-likeness (QED) for the generated molecule.
5. Synthetic accessibility score (SA) for the generated molecule (0 being the easiest to synthesise and 1 being the most difficult).
6. The docking score and the corresponding interactions for the generated molecule.

The Modifications section provides the option to download the smiles as a CSV file. This file also includes the individual description, requested modification, and all of the above parameters as present for each molecule.