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
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
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.