by Marina Chenery | May 12, 2013 | Downloads, Models
Shen BBB Models Blood-brain barrier (BBB) penetration is a measure of the ratio between the compound concentration in brain and blood. Good BBB penetration is required for compounds intended for targets in the central nervous system (CNS). Alternatively, for...
by Marina Chenery | May 12, 2013 | Downloads, Models
Shen HIA Models Human Intestinal Absorption (HIA) is a measure of the fraction of orally dosed compound that enters the bloodstream in the hepatic portal vein. Good HIA is a necessary, but not sufficient, requirement for good oral bioavailability. This is because oral...
by Marina Chenery | May 10, 2013 | Downloads, Scripts/Addons
PAINS Filters Baell and Holloway published a set of substructure filters for removal of what they termed “Pan Assay Interference Compounds (PAINS)” from screening collections [J. Med. Chem. 2010 53(7) pp. 2719-2740]. These define functional groups that are known to...