Murcko used 1D and 2D descriptors based on Lipinski's Rule-of-5 and 2D fingerprints to determine CNS activity. The following constraints are applied to ilib diverse's Murcko filter:
Ajay; Bemis, Guy W.; Murcko, Mark A.
Designing Libraries with CNS Activity.
Journal of Medicinal Chemistry (1999), 42(24), 4942-4951.
Darvas Ferenc; Keseru Gyorgy; Papp Aacytelkos; Dorman Gyorgy; Urge
Laszlo; Krajcsi Peter
In Silico and Ex Silico ADME Approaches for Drug Discovery.
Current topics in medicinal chemistry (2002), 2(12), 1287-304.