Oct. 17, 2008, 11:54 a.m.
New Release! MetaSite 3.0
Optimize metabolic stability earlier in lead optimization in tandem with potency and selectivity. Find alternative modification sites to reduce the risk of creating toxic CYP inhibitors. Predict metabolite profiles to speed up experimental analysis.
Using GRID Molecular Interaction Fields for spatial recognition, alongside chemical reactivity and reaction mechanism propensity, MetaSite is training-set independent leading to robust predictivity (about 85% accuracy).
MetaSite is the only software generated using data from the human CYP consortium initiative led by Molecular Discovery.