Figures 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
  • Figure 1. Structures of the studied Makaluvamines (NB: Neutral forms are noted by the refcode X, methylated forms by Xmet)
  • Figure 2. Coefficients defining the contributions of the four descriptors to anticancer activity in model 1
  • Figure 3. Mean regression of experimental anticancer activity in relation with theoretical anticancer activity for all molecules of the training set and the validation set of model 1
  • Figure 4. Coefficients attributed to the different descriptors of models 2, 3 and 4
  • Figure 5. Mean regression of experimental anticancer activity in relation with theoretical anticancer activity for all molecules in the training set and the validation set of three models 2, 3 and 4
  • Figure 6. Structures of Makaluvamines without experimental FC50 values