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Table 2 Summary of the statistics quantitative structure–larvicidal activity relationship models for activity against fourth instar of Cx. quinquefasciatus

From: In vitro and in silico studies of terpenes, terpenoids and related compounds with larvicidal and pupaecidal activity against Culex quinquefasciatus Say (Diptera: Culicidae)

Statistical parameter IV instar
Model 1 Model 2 Model 3 Model 4 Model 5 Model 6
n 50 50 47 47 39 39
Q2 0.793 0.75.34 0.781 0.759 0.851 0.832
R2 0.828 0.78.73 0.881 0.858 0.965 0.957
F 14.5 11.1 21.8 21.3 49.2 39.4
s 0.291 0.301 0.231 0.234 0.137 0.152
  1. n, number of systems evaluated; Q2, the square of the coefficient of cross-validation; R2, the square of the correlation coefficient; s, standard deviation; F, Fisher statistic; WC, without contribution; nCt, number of total tertiary C (sp3); nCconj, number of non-aromatic conjugated C (sp2); nR = Cp, number of terminal primary C (sp2); nRCO, number of ketones (aliphatic); nROR, number of ethers; nArOH, number of phenolic groups; nOH, number of a hydroxyls
Descriptors Contributions
Model 1 Model 2 Model 3 Model 4 Model 5 Model 6
nCt 0.0679 WC WC WC WC WC
nCconj 0.0631 0.04241 0.052 0.0444 0.3304 0.3606
nR = Cp WC 0.0803 WC WC WC WC
nRCO − 0.5006 − 0.5641 − 0.491 − 0.48 − 0.7285 − 0.6265
nROR − 0.34331 WC − 0.2618 − 0.2579 − 0.503 − 0.5205
nArOH WC 0.1229 0.1518 WC 0.6552 0.6582
nOH WC WC WC 0.0187 WC WC
Intercept − 1.5373 − 1.644 − 1.6531 − 1.6723 − 2.80322 − 2.8386
  1. n, number of systems evaluated; Q2, the square of the coefficient of cross-validation; R2, the square of the correlation coefficient; s, standard deviation; F, Fisher statistic; WC, without contribution; nCt, number of total tertiary C (sp3); nCconj, number of non-aromatic conjugated C (sp2); nR = Cp, number of terminal primary C (sp2); nRCO, number of ketones (aliphatic); nROR, number of ethers; nArOH, number of phenolic groups; nOH, number of a hydroxyls