Multi-reference strategy

This image shows a successful small-molecule alignment using a multi-reference strategy on a set of D2/D4 inhibitors.

As it can be observed, using two references on a set of 41 D2/D4 inhibitors with different chemical structures, the number of compounds properly superposed significantly increases (Fig. C and F) in comparison to the results obtained using a single reference approach (Fig. A, B and D, E).

This example was obtained with PharmScreen that uses interaction fields based on the molecular hydrophobic properties.

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