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

Task Name

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


Target Molecule

Select one molecule as the docking target.


Input Molecules

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

Drag & Drop your files here, or

Supports .mol2, .sdf


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


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.