GDoQ: Prediction of GLMU inhibiotors using QSAR and Docking

Examples File in mol (test.mol) and mol2 (test.mol2)

Submission Form

GDoQ server allow to predict IC₅₀ value of the compound against GlmU enzyme. You may submit molecules using any of the 3 methods.
1. Sketch using JME editor.
2. Paste molecules in the box.
3. Upload file containing moleclues in standard format.

Sketch Structure using JME editor
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(JME Editor courtesy of Peter Ertl, Novartis)
   Paste structure in Mol/Mol2 format

    Upload File in Mol/Mol2 format

   Select the input format (If structure is pasted or uploaded)
MOL MOL2