How to obtain SMILES information corresponding to drugs in the dataset?

mims-harvard / decagon

Graph convolutional neural network for multirelational link prediction

http://snap.stanford.edu/decagon

MIT License

449 stars 142 forks source link

How to obtain SMILES information corresponding to drugs in the dataset? #40

Open Woiea opened 1 month ago

Woiea commented 1 month ago

The document provided by the author seems to contain the ID of the STITCH database for the drug. I want to query the SMILES information of drugs in the STITCH database based on these IDs, but I found that some IDs cannot be found in the database. Why is that? How should this situation be handled?