Ordering R Groups by Similarity to Reference Group in Lead Discovery ChemCharts SAR Map

[Manoj Chaurasia]

Hello,

I have created an SAR Map using the ChemCharts, where I have two R group sets resulting from R group decomposition. I would like to order the R groups on each axis by similiarity to a referece R group in each repsective axis. Rephrased for clarity, i would like to:

1. Select a compound from the R1 group/axis, and one from the R2 group/axis

2. Order the Y axis (R1 axis) by similiary based on the reference compound from the R1 group

3. Order the X axis (R2 axis) by similiary based on the reference compound from the R2 group

Has anyone found a workaround for doing this in the SAR Map ChemCharts Visualization from Spotfires LeadDiscovery

 

Alternatively, I would like to do 2 and 3 using separate reference compounds for ordering each group (R1 and R2). (This alternative compound could be drawn with ChemDraw in Spotfire, or using a Smiles string)

Below is a screenshot of an SAR map with the R1 and R2 axes for reference:

[Heleen Snelting]

Hello Yannah,

 

I have pointed one of our contacts at TIBCO's partner PerkinElmer to your question as they would probably be in best position to provide an answer to you. It looks like you are using one of PerkinElmer's Spotfire solutions.

 

Kind regards,

 

Heleen Snelting, TIBCO 

[Heleen Snelting]

Hi Yannah - can you please submit your question to informatics.support@perkinelmer.com PerkinElmer will be happy to assist you!

Heleen Snelting

TIBCO