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, ...)