Simulated whole-brain connectomes demonstrate an enhanced inter-individual variability depending on data processing and modeling approach. By considering the human brain connectome as an individualized attribute, we investigate how empirical and simulated whole-brain connectome-derived features can be utilized to classify patients with Parkinson's disease against healthy controls in light of varying data processing and model validation. To this end, we applied simulated blood oxygenation level-dependent signals derived by a whole-brain dynamical model simulating electrical signals of neuronal populations to reveal differences between patients and controls. In addition to the widely used model validation via fitting the dynamical model to empirical neuroimaging data, we invented a model validation against behavioral data, such as subject classes, which we refer to as behavioral model fitting and show that it can be beneficial for Parkinsonian patient classification. Furthermore, the results of machine-learning reported in this study also demonstrated that performance of the patient classification can be improved when the empirical data are complemented by the simulation results. We also showed that temporal filtering of blood oxygenation level-dependent signals influences the prediction results, where the filtering in the low-frequency band is advisable for Parkinsonian patient classification. In addition, composing the feature space of empirical and simulated data from multiple brain parcellation schemes provided complementary features that improve prediction performance. Based on our findings, we suggest including the simulation results with empirical data is effective for inter-individual research and its clinical application.