Pharmaceuticals
Findings in pharmaceuticals reported from China University
Published in Drug Law Weekly, August 25th, 2009
"Two chemical function-based pharmacophore models of selective kappa-opioid receptor agonists were generated by using two different programs: Catalyst/HypoGen and Phase. The best output hypothesis (Hypo1) of HypoGen consisted of five features: one hydrogen-bond acceptor (HA), three hydrophobic points (HY), and one positive ionizable function (PI)," scientists writing in the Journal of Molecular Modeling report.
"The highest scoring model (Hypo2) produced by Phase comprised four features: one acceptor (A), one positive ionizable function (P), and two aromatic ring features ®. These two models (Hypo1 and Hypo2) were then validated by test set prediction and...
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Source: Drug Law Weekly (2009-08-25)
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