On 13/04/2012 13:02, Jochen Schreiber wrote:
> Hello everybody,
>
> i have a dataset where i know (form a clustering) which compounds are in
> which cluster.
>
> For example Cluster 55: With 16 Compounds.
>
> Now i want to start a similarity search on each compound in this cluster with
> babel. I
Hello everybody,
i have a dataset where i know (form a clustering) which compounds are in which
cluster.
For example Cluster 55: With 16 Compounds.
Now i want to start a similarity search on each compound in this cluster with
babel. I will do this with tanimoto 0.7, 0.8 and 0.85 to look for wh
