Active learning of chemistry in KNIME using ADMET example


OK, been playing around with active loop learn for while. This page was very useful for studying for uncertainty score labeling.

I think the workflow tells it all and kept adding 10 data each round.


The initial results with number of rows (data) used like 300's was about 0.7 accuracy (not any bad actually...)


it adds up data but number of rows were around 4500 to plateau. All data were about 7000 so it does require low number of dataset for training using Active Learning. Quite cool and I can try active learning + transfer learning with this too. COOOOOOOOL.


I do want to try with density type labeling. but this post is useful again

I will try this too soon too 


FIXED the bug in the workflow 2020/01/21 so the result differf from the original post