TY - JOUR T1 - The Use of Molecular Orbital Calculations as an Aid to Correlate the Structure and Activity of Cholinesterase Inhibitors JF - Molecular Pharmacology JO - Mol Pharmacol SP - 137 LP - 144 VL - 1 IS - 2 AU - W. BROCK NEELY Y1 - 1965/09/01 UR - http://molpharm.aspetjournals.org/content/1/2/137.abstract N2 - This study is an attempt to use molecular orbital (MO) calculations as an aid in correlating chemical structure with the ability of the material to act as a cholinesterase inhibitor. Several different carbamates and organophosphates were examined in this fashion. The interpretation of the results illustrates the utility of MO theory in correlation studies. In addition, it suggests a new way of looking at the action of certain inhibitors of cholinesterase. ER -