Collect. Czech. Chem. Commun.
1995, 60, 1410-1414
https://doi.org/10.1135/cccc19951410
Possibility of Anaesthetical Activity Prediction of N-(Pyrrolidinyl)ethyl Esters of Alkoxyphenylcarbamic Acids
Štefan Hatríka, Jozef Lehotayb and Jozef Čižmárikc
a Department of Chemistry, Comenius University, 841 15 Bratislava, Slovak Republic
b Department of Analytical Chemistry, Slovak Technical University, Bratislava, Slovak Republic
c Department of Pharmaceutical Chemistry, Comenius University, 841 15 Bratislava, Slovak Republic
Abstract
A back-propagation-type neural network consisting of three layers was used for predicting of surface and infiltration anaesthetical activity of pyrrolidinylethyl esters of 2- and 3-alkoxyphenylcarbamic acids. The prediction of local anaesthesia was based on the knowledge of this property for piperidinylethyl esters, piperidinylpropyl esters and azepanylethyl esters of 2- and 3-alkoxy- phenylcarbamic acids. The structural formulas of compounds pre-processed to the numerical input and RP-HPLC capacity factors (characterizing the lipophility of tested compounds) were used for generating inputs for the neural network. Anaesthetical activities of tested drugs calculated by neural network were in a good agreement with the experimentally measured data. Average error of predicted values ranges from 2% for the surface anaesthesia of pyrrolidinylethyl esters of 2-alkoxy- phenylcarbamic acids to 15% for the infiltration anaesthesia of pyrrolidinylethyl esters of 3-alkoxyphenylcarbamic acids.
