Infere relations between a main Network of compounds and 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 any special character i.e. @%$_^.-~ or empty spaces.
Files are temporary saved on the server and deleted after processing.
Maximum allowed upload size is 10MB (~2000 compounds).

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.

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