Description Usage Value Author(s) Source
The data is a randomly selected subset with size 1000 for chemical-chemical interactions. The two SMILES strings are for compound pairs and the label is for their interactions.
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chemical-chemical interaction data
Dongmin Jung
Huang, K., Xiao, C., Hoang, T., Glass, L., & Sun, J. (2020). CASTER: Predicting drug interactions with chemical substructure representation. AAAI.
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