Table 2 Comparison of technical features
| Â | Approach | Interface | Availability | Input file formats | Output file formats |
|---|---|---|---|---|---|
RDT | Structure-based | Web and desktop application | Free | RXN, SMILES | RXN, SMILES |
DREAM | Optimisation-based | Web application | Free | RXN, SMILES | RXN |
MWED | Optimisation-based | Desktop application | Free for academics | RXN, SMILES | SMILES, MetaCyc |
CLCA | Structure-based | Algorithm | Free | SMILES | SMILES |
ICMAP | Structure-based | Desktop application | Commercial | RXN | RXN |
AutoMapper | Structure-based | Desktop application | Free for academics | RXN, SMILES | RXN, SMILES |