Blood-Brain-Barrier Filter

The Blood-Brain-Barrier Filter node applies filters on input molecules based on predefined blood-brain-barrier filter sets. Either a set of Van de Waterbeemd filters (Waterbeemd et al: J. Drug. Target. (1988), 6, 151-165), or a set of Murcko filters (Ajay et al: J. Med. Chem. (1999), 42, 4942-4951), or both can be applied. The node has two output ports. The first contains all molecules that match the selected sets of filters. The second outputs all molecules that are excluded based on the selected filters.

Input ports

1. Type: Table
   Input molecule table
   Table containing molecules to filter

Output ports

1. Type: Table
   Output filtered molecule table
   Table containing molecules that match the selected filter criteria
2. Type: Table
   Output filtered out molecule table
   Table containing molecules that did not match the selected filter criteria