Computer-assisted validation

Liquid chromatography is now a mature technique. Instruments are reliable and increasingly computer assisted. Column-to-column reproducibility is ensured by most manufacturers. The quest for the universal detector is about to end with the advent of a sophisticated and miniaturized MS detector. Development of a method can be achieved in a rather short period with available software. The emphasis is on validation more than on how to handle it. Capillary columns are sure to improve, and the trend will be toward many parallel analyses. 

Molnar, I. Validation of robust chromatography methods using computer-assisted method development for quahty control. LC GC Int. 1996, 9 (12), 800-808. 

I hope that my thesis can be used as a contribution in the future for analysis and validation in biotechnology, and also for the rapid determination of competitive adsorption isotherm parameters so that computer-assisted simulations may be used more extensively, in scaling-up and optimization of large scale chromatography. 

Feasibility and validity of three computer-assisted neurobehavioral tests in 7-year-old children. Neurotoxicol. Teratol. 18(4) 413-419. 

A higher reliabilily and ecological validity can be generally assumed with computer-assisted recordings than with paper and pencil questionnaires and diaries that lack flexibility and exactness when timing responses. 

The exemplaiy investigations showed that computer- assisted ambulatory monitoring in applied environments has many advantages in the valid assessment of workload. However, only few examples are given in the next part of this book. 

Myrtek, M., Brugner, G., Muller, W (1996b). Validation studies of emotional, mental, and physical workload components in the field. In J. Fahrenberg M. Myrtek (Eds.). Ambulatory assessment Computer-assisted psychological and psychophysiological methods in monitoring and field studies (pp. 287 304). Seattle Hogrefe Huber. 

The successful application of a computer-assisted ligand design paradigm has been described. As part of this paradigm, the FEP method was instrumental in testing a novel series of promising inhibitors for the HIV-1 protease. More importantly, once validated, this approach was used in a predictive sense to... 

Woods RP, Grafton ST, Holmes CJ et al. (1998a) Automated image registration I. General methods and intrasubject, intramodality validation. J Comput Assist Tomogr 22(1) 139-152... 

Labadie, R. E et al. "Customized, rapid-production microstereotactic table for surgical targeting Description of concept and in vitro validation." International Journal of Computer Assisted Radiology and Surgery 4.3 (2009) pp. 273-280. 

A kinetic model which accounts for a multiplicity of active centres on supported catalysts has recently been developed. Computer simulations have been used to mechanistically validate the model and examine the effects on Its parameters by varying the nature of the distrlbultons, the order of deactivation, and the number of site types. The model adequately represents both first and second order deactivating polymerizations. Simulation results have been used to assist the interpretation of experimental results for the MgCl /EB/TlCl /TEA catalyst suggesting that... 

QA SQPs should specify the amount of data to be audited and how the data points are chosen for audit. An auditor may choose to perform more thorough and more frequent audits on a recently validated system. The validation report can be used to assist in determining what and how much to audit. For example, if data summary printouts from the chromatographic computer system are used in the report, the validation report should be reviewed to verify that this summary function was tested during validation. If this portion of the computer software was successfully validated, verifying a few values from each table in the report may be sufficient. 

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