Lebrun, Pierre
[ULG]
Boulanger, Bruno
[Arlenda S.A.]
Debrus, Benjamin
[ULG]
Lambert, Philippe
[UCL]
Hubert, Philippe
[ULG]
The International Conference for Harmonization (ICH) has released regulatory guidelines for pharmaceutical development. In the document ICH Q8, the design space of a process is presented as the set of factor settings providing satisfactory results. However, ICH Q8 does not propose any practical methodology to define, derive, and compute design space. In parallel, in the last decades, it has been observed that the diversity and the quality of analytical methods have evolved exponentially, allowing substantial gains in selectivity and sensitivity. However, there is still a lack of a rationale toward the development of robust separation methods in a systematic way. Applying ICH Q8 to analytical methods provides a methodology for predicting a region of the space of factors in which results will be reliable. Combining design of experiments and Bayesian standard multivariate regression, an identified form of the predictive distribution of a new response vector has been identified and used, under noninformative as well as informative prior distributions of the parameters. From the responses and their predictive distribution, various critical quality attributes can be easily derived. This Bayesian framework was then extended to the multicriteria setting to estimate the predictive probability that several critical quality attributes will be jointly achieved in the future use of an analytical method. An example based on a high-performance liquid chromatography (HPLC) method is given. For this example, a constrained sampling scheme was applied to ensure the modeled responses have desirable properties.
- Box G. E. P., Bayesian Inference in Statistical Analysis (1973)
- DAWID A. P., Some matrix-variate distribution theory: Notational considerations and a Bayesian application, 10.1093/biomet/68.1.265
- Debrus Benjamin, Lebrun Pierre, Ceccato Attilio, Caliaro Gabriel, Govaerts Bernadette, Olsen Bernard A., Rozet Eric, Boulanger Bruno, Hubert Philippe, A new statistical method for the automated detection of peaks in UV-DAD chromatograms of a sample mixture, 10.1016/j.talanta.2009.03.009
- Debrus Benjamin, Lebrun Pierre, Ceccato Attilio, Caliaro Gabriel, Rozet Eric, Nistor Iolanda, Oprean Radu, Rupérez Francisco J., Barbas Coral, Boulanger Bruno, Hubert Philippe, Application of new methodologies based on design of experiments, independent component analysis and design space for robust optimization in liquid chromatography, 10.1016/j.aca.2011.02.035
- Del Castillo E., Journal of Quality Technology, 44, 117 (2012)
- Derringer G. C., Journal of Quality Technology, 12, 214 (1980)
- Dewé W., Marini R.D., Chiap P., Hubert Ph., Crommen J., Boulanger B., Development of response models for optimising HPLC methods, 10.1016/j.chemolab.2004.04.016
- Geisser Seymour, Bayesian Estimation in Multivariate Analysis, 10.1214/aoms/1177700279
- Geweke , J. ( 1991 ). Efficient simulation from the multivariate normal and Student-tdistributions subject to linear constraints and the evaluation of constraint probabilities. Computing Science and Statistics: 23rd Symposium on the Interface, Seattle, WA; April .
- Gupta A. K., Matrix Variate Distributions (1999)
- Guttman I., Statistical Tolerance Regions: Classical and Bayesian (1970)
- Hamada Michael, Johnson Valen, Moore Leslie M, Wendelberger Joanne, Bayesian Prediction Intervals and Their Relationship to Tolerance Intervals, 10.1198/004017004000000518
- Harrington E. C., Industrial. Quality Control, 21, 494 (1965)
- ICH Q8 . ( 2006 ). Guidance for Industry, Q8 Pharmaceutical Development, 2006. International Conference for Harmonization, global .
- Le Bailly de Tilleghem , C. , Govaerts , B. ( 2005 ). Distribution of desirability index in multicriteria optimization using desirability functions based on the cumulative distribution function of the standard normal. Technical report 0531, Louvain-la-Neuve: Université Catholique de Louvain .
- Lebrun Pierre, Govaerts Bernadette, Debrus Benjamin, Ceccato Attilio, Caliaro Gabriel, Hubert Philippe, Boulanger Bruno, Development of a new predictive modelling technique to find with confidence equivalence zone and design space of chromatographic analytical methods, 10.1016/j.chemolab.2007.05.010
- Massart D. L., Chemometrics: A Textbook (Data Handling in Science and Technology) (1990)
- Miró-Quesada Guillermo, Del Castillo Enrique, Peterson John J., A Bayesian Approach for Multiple Response Surface Optimization in the Presence of Noise Variables, 10.1080/0266476042000184019
- Peterson J. J., Journal Quality Technology, 36, 139 (2004)
- Peterson John J., A Bayesian Approach to the ICH Q8 Definition of Design Space, 10.1080/10543400802278197
- Peterson John J., Lief Kevin, The ICH Q8 Definition of Design Space: A Comparison of the Overlapping Means and the Bayesian Predictive Approaches, 10.1198/sbr.2009.08065
- Peterson John J., Yahyah Mohammad, A Bayesian Design Space Approach to Robustness and System Suitability for Pharmaceutical Assays and Other Processes, 10.1198/sbr.2009.0037
- Peterson John J., Miró-Quesada Guillermo, del Castillo Enrique, A Bayesian Reliability Approach to Multiple Response Optimization with Seemingly Unrelated Regression Models, 10.1080/16843703.2009.11673204
- Press S. J., Applied Multivariate Analysis: Using Bayesian and Frequentist Methods of Inference (1972)
- Royston Patrick, Remark AS R94: A Remark on Algorithm AS 181: The W-test for Normality, 10.2307/2986146
- Schoenmakers P.J., Abbott R.W., Optimization of chromatographic selectivity—a guide to method development (Journal of chromatography library, vol 36), 10.1016/s0003-2670(00)80772-2
- Snyder Lloyd R., Kirkland Joseph J., Glajch Joseph L., Practical HPLC Method Development : Snyder/Practical, ISBN:9781118592014, 10.1002/9781118592014
- Steuer , D. ( 2000 ). An Improved optimisation procedure for desirability indices. Technical report 27/00, SFB 475. Dortmund, Germany: Dortmund University .
- Stockdale Gregory W., Cheng Aili, Finding Design Space and a Reliable Operating Region Using a Multivariate Bayesian Approach with Experimental Design, 10.1080/16843703.2009.11673206
- Tee-Won L., Independent Component Analysis, Theory and Applications (2001)
- Timm N. H., Applied Multivariate Analysis (2002)
- Vanbel P.F, Development of flexible and efficient strategies for optimizing chromatographic separations, 10.1016/s0731-7085(99)00162-4
- Wang Guoqing, Ding Qingzhu, Hou Zhenyu, Independent component analysis and its applications in signal processing for analytical chemistry, 10.1016/j.trac.2008.01.009
Bibliographic reference |
Lebrun, Pierre ; Boulanger, Bruno ; Debrus, Benjamin ; Lambert, Philippe ; Hubert, Philippe. A Bayesian design space for analytical methods based on multivariate models and predictions. In: Journal of Biopharmaceutical Statistics, Vol. 23, no.6, p. 1330-1351 (2013) |
Permanent URL |
http://hdl.handle.net/2078.1/141072 |