Infer 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 attach structurally similar nodes "B" to the base network. Two different similarity thresholds are given by the user; one for the connectivity strength of the base network nodes and one indicating the strength of the connections between the nodes of A and B.

Step 1.
Please, Upload reference set * in ".sdf" format.
Step 2.
Please, Upload test set * in ".sdf" format.

‒ 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 inference links[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:

2. Edgelist between A - B:

*Results are stored for a week.