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Overview of BCL application groups covered in this manuscript.
| Application Group | Typical Inputs | Typical Outputs |
|---|---|---|
| Molecule | Molecules (.sdf) | Molecules (.sdf) |
| Descriptor | Descriptor sets | Dataset binary file (.bin) |
| Molecules (.sdf; GenerateDataset only) | Dataset comma-separated file (.csv) | |
| Dataset binary file (.bin) | ||
| Dataset comma-separated file (.csv) | ||
| Model | Dataset binary file (.bin) | Machine learning model(s) |
| Machine learning model(s) | Predictions |
