Validation and Evaluation

While the analytical solution limited to the static problem has been applied at least in a simplified fashion for the elementary examinations of Section 10.2, the finite element solution capable of capturing the general problem has not yet been employed. Both solution variants will now be checked against each other and against an entirely independent approach with a commercial finite element software. 

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Process validation and evaluation of data Development chemistry + ... 

A number of software packages or expert systems for ruggedness testing has been developed. RES (commercialized under the name Shaiker ) is an expert system created by Van Leeuwen et al. [4,23] and has been validated and evaluated [42,43]. It uses fractional factorial and Plackett-Burman designs and allows to test the factors at two or three levels. The interpretation criteria used here are the predefined values (see Section 3.4.8). 

For the vibrational term qivib, a classical high-T continuum approximation is seldom valid, and evaluation of the discrete sum over states is therefore required over the quantum vibrational distribution. (As pointed out in Sidebar 5.13, accurate treatment of molecular vibrations is crucial for accurate assessment of entropic contributions to AGrxn.) A simple quantum mechanical model of molecular vibrations is provided by the harmonic oscillator approximation for each of the 3N — 6 normal modes of vibration of a nonlinear polyatomic molecule of N atoms (cf. Sidebar 3.8). In this case, the quantum partition function can be evaluated analytically as... 

Statistical tools for validation and evaluation of analytical methods... 

As for all statistical approaches, there is a need for robust validation to ensure that the resulting models are not misleading due to chance correlation and that these models show predictive power to novel molecules. Hence, the successful application depends on the chosen validation strategy using internal validation and evaluation using an external test set. Furthermore, the choice of a set of appropriate descriptors leading to directly interpretable 3D-QSAR models is crucial for interpretation and discussions with medicinal chemists. 

After introduction a prototype of intelligent multi-sensor system for driver status monitoring— DeCaDrive is presented in Section 2. The system expansion with embedded impedance spectroscopy sensor, its analog front-end and sensor data preprocessing are addressed in Section 3. Multi-sensor feature computation and data fusion as well as neural network based pattern classification are discussed in Section 4. The extended system is validated and evaluated by presenting the experimental results in Section 5. Finally, with future perspectives the current work is concluded in Section 6. 

C. A. SchiUer, F. Richter, E. Giilzow, and N. Wagner [2001] Validation and Evaluation of Electrochemical Impedance Spectra of Systems with States that Change with Time, J. Phys. Chem. Chem. Phys. 3, 374-378. 

BACO code combined with the Intemational Fuel Performance Experiments Database (of the OECD Nuclear Energy Agency) should cover all validation and evaluation requirements to fuel rod design. 

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