Dataset Viewer
The dataset viewer is not available because its heuristics could not detect any supported data files. You can try uploading some data files, or configuring the data files location manually.
Data in this collection is orrgianlly from King-Smith et al's publication:
King-Smith, E., Bernier L. et al. Probing the Chemical 'Reactome' with high-throughput experimentation data. Nat. Chem. 16, 633-643 (2024). https://doi.org/10.1038/s41557-023-01393-w
Oriognal data was published under an MIT usage license.
All processed data is contained in the 'data' folder.
Models were genereated with the 'buchwald' and 'homohydrogenation' scritps. 'Prediction' scripts have the option to input a test SMILES string to get a product smmiles prediction.
- Downloads last month
- 60