Predict 10,000 A D M Ε Properties per hour Estimate Important Physical Propertie
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Octanol/water partition coefficient (log Po/v Blood/brain partition coefficient (log Bl Aqueous solubility (log ί CNS activil Caco-2 cell permeability (PCaci Free energy of solvation in wat< Free energy of solvation in octant Free energy of solvation in hexadecar and more.
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Calculate many additional descripto] Flag results outside 95% range of known dru$
From the laboratory of William L Jorgenser C Ρ Whitehead Professor of Chemistrj Yale Universit QikProp provides an integrated, powerful platform for ADME evaluation, QSAR, and library design QikProp is extremely fast and easy to use, and is the only property prediction program currently available that predicts Caco-2 and blood-brain barrier permeabilities. QikProp has been thoroughly tested at major pharmaceutical companies and found to be indispensable in both highthroughput library screening, and lead optimization.
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