A new method for predicting conduction anesthesia |
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Authors: | E. V. Bartashevich V. A. Potemkin A. V. Belik |
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Affiliation: | (1) Department of Chemistry, Chelyabinsk State University, 129 ul. Br. Kashirinykh, 454136 Chelyabinsk, Russian Federation |
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Abstract: | A new method for predicting conduction anesthesia has been suggested. The method is based on calculation of theP matrix probabilities of interatomic contacts for each molecule of the compounds considered. TheP matrix enables one to evaluate the main tendencies of atoms and atomic groups to interact in biochemical sorption on the nerve fiber surface. The minimum effective concentrations calculated for 25 compounds are in good agreement with the experimental data. The correlation coefficient between the experimental and calculated values is 0.98 when the standard deviation is 0.1 mmol L−1. Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 10, pp. 1781–1784, October, 1997. |
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Keywords: | conduction anesthesia, computer prediction intermolecular interactions molecular volume |
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