example_cci {DeepPINCS} | R Documentation |
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.
example_cci
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.