A Multiplatform Chemometric Approach to Modeling of Mosquito Repellents

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Figure 9.8: The ranking of the analyzed natural and synthesized compounds with repel-

lence activity towards A. gambiae females based on their normalized physicochemical

properties and row average as the reference ranking. The statistical characteristics of Gaus-

sian fit are the following: first icosaile (5%), XX1 = 26; first quartile, Q1 = 34; median,

Mediana (Med) = 40; last quartile, Q3 = 46; last icosaile (95%), XX19 = 54.

carvacrol, thymol and Syn13 have the same ranking number meaning that they have the

same ranking with regard to the reference ranking. The grouping of the compounds can be

evaluated on the basis of the proximity of the ranking numbers as well: close SRD values

mean a close ranking position.

9.4

CONCLUDING REMARKS AND FURTHER RESEARCH

"No mosquito – no VBD" remains the most important parole regarding VBD since

the most effective vector control strategy is reduction of the mosquito populations and

elimination of the breeding sites. The modeling platform based on chemometrics and all

its modeling tools provides quick answers by the means of the selection of the most potent

but safe compounds with significant repellent activity toward mosquitos. Both regression

and pattern recognition chemometric methods have found a significant place in the modern

design and selection of the repellents reducing the time and costs of this complex task.

Also, it should be borne in mind that the application of these methods implies excellent

knowledge of the issues related to the selection of new repellents, as well as the expertise

in interpretation of the data resulting from the application of sophisticated and complex

chemometric methods.