Paul Stahlhofen

icon company Bielefeld University, Machine Learning Group ( @HammerLabML ) icon location Bielefeld, Germany icon location - Computer Science PhD Student @HammerLabML - Current Research Area: Machine Learning in Water Networks - Previously chemo-informatics developer @MassBank

Results 2 issues of Paul Stahlhofen

Convert CAS to SMILES

8 comment

Dear webchem developers, I am aware that converting CAS to SMILES is usually not that complicated. However, under the current circumstances I've spended quite some time on this problem without...

Retrieve the actual clustering from frizz_nbclust

The 'data' attribute returned by frizz_nbclust contains a table with two columns: The number of clusters used and the result of the evaluation metric. I don´t know how I would...