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. 2019 Oct 30;24(21):3909. doi: 10.3390/molecules24213909

Table 3.

Molecular descriptors of the mt-QSAR-LDA model and their respective definitions.

Descriptor Description
D[Tnsq13(VDW)N2]bt Total atom-based non-stochastic quadratic index of order 13 weighted by the van der Waals volume, modified by the Euclidean distance as mathematical operator, and depending on the chemical structure and the target
D[Tnsq3(CH)MN]bt Total atom-based non-stochastic quadratic index of order 3 weighted by the charge, modified by the minimum value as mathematical operator, and depending on the chemical structure and the target
D[Tssq5(POL)MX]me Total atom-based stochastic quadratic index of order 5 weighted by the polarizability, modified by the maximum value as mathematical operator, and depending on the chemical structure and the measure of effect
D[Tnsq2(HYD)N1]me Total atom-based non-stochastic quadratic index of order 2 weighted by the hydrophobicity, modified by the Manhattan distance as mathematical operator, and depending on the chemical structure and the measure of effect
D[Tnsq5(CH)N2]me Total atom-based non-stochastic quadratic index of order 5 weighted by the charge, modified by the Euclidean distance as mathematical operator, and depending on the chemical structure and the measure of effect
D[Tnsq1(PSA)GM]me Total atom-based non-stochastic quadratic index of order 1 weighted by the polar surface area, modified by the geometric mean as mathematical operator, and depending on the chemical structure and the measure of effect
D[Tssq11(CH)MN]me Total atom-based stochastic quadratic index of order 11 weighted by the charge, modified by the minimum value as mathematical operator, and depending on the chemical structure and the measure of effect