Extended Data Fig. 3: The basic statistics of the datasets used in our tests.

(a) The numbers of sentences annotated with five different types of DDI relations in the DDI’13 dataset. NA means no interaction. ADVICE means the recommended concomitant medication usage. EFFECT means that there exists a certain pharmacodynamic effect between two drugs. MECHANISM means that there exists a certain pharmacokinetic mechanism between two drugs. INT means that a DDI occurs without any additional information. (b) The numbers of bags of sentences annotated with six different types of DTI relations in the distantly supervised DTI dataset. NA means no interaction.Substrate means that the drug is what the target (that is, enzyme) acts upon. Inhibitor means that the drug binds to the target (that is, enzyme) and impede with the functioning of the target. Agonist/Antagonist means that the drug binds to the target (that is, receptor) and activates/blocks it to produce a biological response. Unknown means that there exists a certain relation between a drug–target pair, but the action mechanism is unknown in DrugBank. Other is a unified name of all the other types of interactions with fewer occurrences. The unlabelled set, which was mainly used for prediction, was collected from the PMC articles after excluding abstracts.