Building structure-property predictive models using data assimilation
Computational Life Sciences II Proceedings (2006)
- ISSN: 03029743
- ISBN: 3540457674
Abstract
In Chernometrics it is often the norm to develop regression methods for analysing non-linear multivariate data by using the observations (measurements) as the sole constraint. This is the case regardless of the nature of the regression method (parametric or non-parametric) 1. In this article we present the development of a regression model using data assimilation(2) - A technique that takes into account additional available information about the ``system'' which the model is to represent. The new approach shows substantial improvement over the ``conventional'' methods3 against which it has been compared.
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