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This article is part of the supplement: 3rd German Conference on Chemoinformatics: 21. CIC-Workshop

Open AccessPoster presentation

Estimating the applicability domain of kernel based QSPR models using classical descriptor vectors

NH Fechner, G Hinselmann, C Schmiedl and Andreas Zell

University of Tuebingen, Sand 1, 72076 Tuebingen, Germany

corresponding author email

from 3rd German Conference on Chemoinformatics
Goslar, Germany. 11-13 November 2007

Chemistry Central Journal 2008, 2(Suppl 1):P2doi:10.1186/1752-153X-2-S1-P2

Published: 26 March 2008

First paragraph (this article has no abstract)

The propagation of machine learning based property prediction methods (e.g. QSAR, QSPR,.…) has lead to the question of the reliability of the prediction. This leads to the development of methods enabling the estimation of the reliability of a model based prediction.


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