NEURAL-NETWORK METHOD, THE TOOL FOR STUDYING BIOLOGICAL-ACTIVITY OF COMPOUNDS - RELATIONSHIP BETWEEN INFILTRATION ANESTHESIA, CODED STRUCTURAL INFORMATION, AND CHROMATOGRAPHIC PROPERTIES APPLIED IN HOMOLOGOUS SERIES OF ALKOXY-SUBSTITUTED ESTERS OF PHENYLCARBAMIC ACIDS

Citation
S. Hatrik et al., NEURAL-NETWORK METHOD, THE TOOL FOR STUDYING BIOLOGICAL-ACTIVITY OF COMPOUNDS - RELATIONSHIP BETWEEN INFILTRATION ANESTHESIA, CODED STRUCTURAL INFORMATION, AND CHROMATOGRAPHIC PROPERTIES APPLIED IN HOMOLOGOUS SERIES OF ALKOXY-SUBSTITUTED ESTERS OF PHENYLCARBAMIC ACIDS, Chemicke zvesti, 49(3), 1995, pp. 149-154
Citations number
16
Categorie Soggetti
Chemistry
Journal title
ISSN journal
03666352
Volume
49
Issue
3
Year of publication
1995
Pages
149 - 154
Database
ISI
SICI code
0366-6352(1995)49:3<149:NMTTFS>2.0.ZU;2-#
Abstract
The mathematical method of neural network was employed for studying of infiltration anaesthetic activity of five homologous series of o- and m-alkoxy-substituted morpholino-, piperidino-, perhydroazepino-, and dimethylaminoethyl esters and piperidinopropyl esters of phenylcarbami c acids, respectively. RP-HPLC capacity factors were used for the char acterization of the lipophilicity of tested drugs. The three-layer per ceptron, that is trained by the back propagation of errors, was succes sfully used for supplementing of the incomplete original data matrix a nd also for smoothing of the biological data. The relationships betwee n the infiltration anaesthesia and the number of C atoms in the alkoxy side chain (LC capacity factors, respectively) for the homologous ser ies presented the peak character, which is in agreement with the theor etical assumptions. The locations of maxima were dependent on the posi tion of the alkoxy side chain in the molecules of tested drugs. The ma xima of infiltration anaesthesia for the homologous series of esters o f phenylcarbamic acids occurred at seven and eight C atoms in the alko xy side chain. m-Substituted drugs presented maxima in the range from three to five C atoms (except of piperidinopropyl esters which had a f lat maximum at eight C atoms and dimethylaminoethyl esters which had t wo maxima at four and seven C atoms). Generally, the infiltration anae sthetic activity of the o-derivatives was higher than that of m-substi tuted drugs.