openmolecules.org

 
Home » DataWarrior » Cheminformatics » Metrics to use for UMAP analysis with SkelSpheres descriptor
Metrics to use for UMAP analysis with SkelSpheres descriptor [message #1725] Thu, 08 September 2022 11:45 Go to previous message
Christophe is currently offline  Christophe
Messages: 31
Registered: January 2022
Member
Hello everyone,

I'd like to use the SkelSpheres descriptor generated by DW to run a UMAP analysis.

As far as I understand, the SkelSpheres descriptor is a 1024 bins matrix. My question : Are these 1024 bins filled with binary (0/1) or counted (integers) or continues (real) data ?

I need to be sure of this answer to select the correct metric available and required to perform ordination of compounds with the new UMAP functionality provided in the last version of DW.

Thanks
 
Read Message
Read Message
Read Message
Previous Topic: Dealing with multiple "0% inhibition" results in HTS tests
Next Topic: Removing "NaN points" from graphs or formula to avoid "NaN" results
Goto Forum:
  


Current Time: Fri May 03 18:49:07 CEST 2024

Total time taken to generate the page: 0.05482 seconds