Hierarchical Clustering


• Step 1.
Please, Upload files* in ".sdf", ".mol", or binary fingerptint in ".txt" format.

*Warning:
‒ Uploaded filename should not contain special characters ^ ()_
‒ Files are temporary saved on the server and deleted after processing.
‒ Maximum number of compounds that can be easily distinguished in the plot area is approximately 1000.
‒ Maximum allowed upload size is 100MB .
‒ fingerprint.txt format should contain two parts separated by a comma (,) character, the binary fingerprint and the name of the compound i.e:
00000110000001010000111101100000000000001111111111111110, Compound 0001
00111111111111111111000000000000000000110111000000000000, Compound 0002
01011110011001000110100100101011101110000000101111001101, Compound 0003
Binary part should not conatain any space before comma.
(see Example Data set 7. for more information)  
Please notice that a PDF reader program should be installed in order to display clustering results.

• Step 2. Please, select Parametres

• Distance Selection:
• Clustering Linkage Selection:
• Clustering Threshold:

• Final Step.

Processing Data...
loading..
Please wait few minutes,
Do not Press Refresh or Any Other Button,
Results will be displayed automatically.


*After the next successful execution your downloadable file links will be:

1. Distance matrix in csv format: http://chembioserver.vi-seem.eu/upload/7n8nKFfexb_dist.txt

2. Results in txt format: http://chembioserver.vi-seem.eu/upload/7n8nKFfexb_groups.txt

3. Clusters in Zip format: http://chembioserver.vi-seem.eu/upload/7n8nKFfexb.zip

*Results are stored for a week.

Launched on Dec 30th, 2011 Updated on Sep 27th, 2019