Remove nodes from a main Network of compounds based on a secondary list of compounds

This utility requires two input sdfs as input; the first sdf is used to create the base network "A" of compounds and the second sdf is parsed in order to find and remove nodes from AB_edgelist that are structurally similar to nodes "B". Two different similarity thresholds are given by the user; one for the connectivity strength of the base network nodes and one indicating the similarity threshold for deletion of nodes from A that are similar to B.

• Step 1.
Please, Upload reference set * in ".sdf" format.
• Step 2.
Please, Upload test set * 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 3. Similarity Metric:

• Step 4. Edge Threshold for base Network[0-1]:

• Step 5. Edge Threshold for A - B, for removal of A nodes[0-1]:

• Final Step.

Processing Data...

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. Upper Triangular Adjacency matrix of network: http://chembioserver.vi-seem.eu/results/zdMuXX8fyt.tsv

2. Edgelist between A - B: http://chembioserver.vi-seem.eu/results/zdMuXX8fyt_AB_removed_edgelist.tsv

*Results are stored for a week.

Filtering

Clustering

Networking

Remove nodes from a main Network of compounds based on a secondary list of compounds