PENGUINS Ultrafast ADME Filter

The PENGUINS fragment library is not exhaustive. Fragment recognition has a built-in heuristic process, and unknown fragments can be added to the database. 

The current error rate is under 5% for typical, drug-like, compounds. In PENGUINS, unknown fragments are automatically converted to 3D coordinates, Vol- 

Surf descriptors are computed for that fragment and stored within the fragment database. 

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