Structural Similarity Network Vizualization

The structural similarity network of compounds is created through the similarity matrix of drugs. This matrix is derived from the function calcDrugFPSim from the Rcpi package which calculates the drug molecules' similarity derived by their molecular fingerprints. Choose the Similarity Metric as well as the cutoff thresolhd in [0, 1] for the edge drawing on the network. The graph is drawn through vis.js.

Step 1.
Please, Upload files* in ".sdf" format.

*Warning:
‒ Uploaded filename should not contain special characters ^ ()_
‒ Files are temporary saved on the server and deleted after processing.
Maximum allowed upload size is 100MB .

Step 2. Similarity Metric:

Step 3. Edge Threshold [0-1]:

Final Step.


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Results will be displayed automatically.


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

1. Adjacency matrix of network: http://chembioserver.vi-seem.eu/results/mQ5zr2GERj.tsv

*Results are stored for a week.