license: mit
Otter STITCH Dataset Card
STITCH (Search Tool for Interacting Chemicals) is a database of known and predicted interactions between chemicals represented by SMILES strings and proteins whose sequences are taken from STRING database. Those interactions are obtained from computational prediction, from knowledge transfer between organisms, and from interactions aggregated from other (primary) databases. For the MKG curation we filtered only the interaction with highest confidence, i.e., the one which is higher 0.9. This resulted into 10,717,791 triples for 17,572 different chemicals and 1,886,496 different proteins. Furthermore, the graph was split into 5 roughly same size subgraphs and GNN was trained sequentially on each of them by upgrading the model trained using the previous subgraph.
Paper or resources for more information:
License:
MIT
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Models trained on Otter UBC