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.
- Type: TableInput molecule tableTable containing molecules to filter