Tables index

From

Lipophilicity and QSAR Study of a Series of Makaluvamines by the Method of the Density Functional Theory: B3LYP/6-311++G(d,p)

Sékou DIOMANDÉ, Soleymane KONÉ

Journal of Materials Physics and Chemistry. 2019, 7(1), 20-28 doi:10.12691/jmpc-7-1-3
  • Table 1. Lipophilicity values of Makaluvamines calculated with different methods
  • Table 2. Molecular descriptors calculated at level B3LYP/6-311++G(d,p)
  • Table 3. Concentrations reducing fluorescence by 50% (FC50) [8] and molecular descriptors of the training and validation set
  • Table 4. Values of partial correlation coefficients () of the descriptors
  • Table 5. Experimental and theoretical activities, and their relationship to the molecules in the validation set
  • Table 6. Concentrations reducing fluorescence by 50% (FC50) [8] and molecular descriptors of the training and validation set of models 2, 3 and 4
  • Table 7. Expressions of models 2, 3, 4 and their different coefficients
  • Table 8. Values of partial correlation coefficients () of the descriptors of models 2, 3 and 4
  • Table 9. Experimental and theoretical activities, and their ratio for the molecules in the validation set
  • Table 10. Theoretical values of FC50 (µM) concentrations of the anticancer activity of a series of Makaluvamines calculated from models 1 (M1), 2 (M2), 3 (M3) and 4 (M4)