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Computational Docking Based Target Identification (COMP)

COMP is Shantani's proprietary method for target identification using mining of historical ligand-target data sets.
[2D/3D molecular structure and molecule-target pair linked funtion based filter leading to increased chance of right target identifications.]

Working Principle

This computation bait-molecule-protein docking-based method relies on historical data-set that ‘X’ kind of molecular structure interacts with ‘Y’ kind of targets to provide ‘Z’ kind of phenotype.


In COMP, the 2-D and 3-D structures of the ‘bait-molecule’ along with this function is searched in historical databases for similarity. A custom based algorithm is developed for every specific molecule to compare it with historical data-set and based on comparison score, targets identity is predicted.

Key Advantages

Points of Consideration