Class predictions

[robinschmid]

Classifications to capture

• [ ] ClassyFire
• [ ] NP classifier

Multiple classes per molecule

A molecule might consist of multiple structures corresponding to different classes.

• [ ] Report if at least one was correct
• [ ] Report how many were incorrect (in case multiple classes were given)
• [ ] Report how many were correct

NP classifier

• [ ] isGlycoside - check those specific classes?

[lfnothias]

Maybe it would make sense to evaluate the classification at each level on the ontology (pathway, superclass, class, ...)