Docking Score Calibration
We use algorithm to initially correct docking score, fast and fit for a series of compounds.
1

Task Name

This is required and it could help you find your task.

2

Target Molecule

Select one molecule as the docking target.

3

Input Molecules

Input .mol2 or .sdf files and/or draw 2D structure for docking.

Drag & Drop your files here, or

Supports .mol2, .sdf

Selected Files
4

Similarity Search Preview

Set the similarity threhold and see how many compounds could be found from our drug dataset.

Compounds that are > similar to input molecules will be selected from database.

If the number of selected compounds are less than tenfold of the number of input molecules, a lower threhold of similarity score is recommanded to be given

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5

Submit Task

Docking Score Calibration Task takes time to complete. Please review your input and submit the task. Find your task in Docking Task and check it progress.