ECFP with Random Forest

Move onto doing random forest because SVM wasn't so good (at this case! not always!!). And I won't bother tuning parameters for SVM too.

 

f:id:hateknime:20190421120003p:plain

File Reader: Read csv

Column Filter: Delete unnecessary columns

RDKit Fingerprint: Morgan FP as always

Random Forest Learner: default

Random Forest Predictor: default

Scorer: default

 

One thing I really like about RF learner

f:id:hateknime:20190421120011p:plain

I can use fingerprint as-is!!!! This is so nice, should make this available for all learners.

 

Then what do I get...

f:id:hateknime:20190421120018p:plain

 

Not bad at all!! RF is very easy to use. I probably can get around 0.8 by really tuning this? But wait, how about XGBoost, that was integrated into KNIME recently...