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Which Physical Properties Should Be Related to Potency?
Theoretical Compartment Models for the Relationship between Physical
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acid American Chemical Society analogs androgen application approach aqueous aspartame atoms B. R. Kowalski biological activity calculated cation Chem chemist classes of sweeteners classification coding compartment complex conformation constant Copyright correlation crown ether cryptand data set delivery derivatives descriptors determined dihydrochalcones dose drug design effects environment equation equilibrium estradiol estrogen evaluated example feature space fragment function glucocorticoid Hansch hormone hydrogen bond hydrophobic indicate intensity interaction ionization J. P. Raynaud Kier ligand log(l/C logP macrocyclic compounds measured membrane methods minipump molecular molecule organisms osmotic parameters partition coefficient pattern recognition Pharm physical properties plasma concentrations pollution polyether potency predicted progesterone progestin protein QSAR reaction regression relationship relative Reprinted with permission response scopolamine selected solubility solvent specific steric steroid structure studies substances substituent sucrose supervised learning sweet taste Table theophylline therapeutic system tion toxicity values weight