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Among the three modeling methods, predictions using RSM model were found better in agreement with experimental results with a marginal error between 4% and 8%.
The significant terms in the model were found by analysis of variance (ANOVA) for each response.
Solvent effects, as calculated using the COSMO model, were found to be relatively minor.
The q2cv and r2ncv values for CoMFA model were found to be 0.549 and 0.702, respectively.
Predictions by the proposed model were found to agree well with experimental results.
Good agreements and the feasibility of the MESH model were found.
The results derived from the model were found to be consistent with the water quality assessment.
The force predictions from the model were found in good agreement with the measured forces.
The predicted values of the model were found to be in excellent agreement with gas chromatographic measurements.
Predictions obtained from the generalized particle-bed model were found in agreement with experimental data.
Results generated from the ligand-based model were found to be superior to those obtained by the receptor-based model.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com