Diversity Picker

Hello,

I have a problem. I try to use the RDKit Diversity Picker node to pick up the most active compounds. There are 100 molecules in the input (table 1). The number to pick is 20 and the Random seed is -1.

I repeated the picking process several times. And the results were not the same. The output files included different compounds each time.

Could you please help me? The KNIME version is 4.2.3

Welcome to the forum.

You need to actually pick a random seed that’s not -1. Any positive integer will work.