Lorentz Jantschi
A molecular modeling study was conducted on a series of six natural occurring chlorophylls. Quantum chemistry calculated orbital energies were used to estimate frequency of transitions between occupied molecular orbital and unoccupied…
The methods measuring the departure between observation and the model were reviewed. The following statistics were applied on two experimental data sets: Chi-Squared, Kolmogorov-Smirnov, Anderson-Darling, Wilks-Shapiro, and Jarque-Bera.…
The methods for parameter estimation under assumption of agreement between observation and model are reviewed. The distribution parameters are obtained for one set of experimental data by using different estimation methods under assumption…
The design and the implementation of a genetic algorithm are described. The applicability domain is on structure-activity relationships expressed as multiple linear regressions and predictor variables are from families of structure-based…