A Free-Wilson-like Approach to Analyze QSAR Models Based on Graph Decomposition Kernels

Mol Inform. 2010 Jul 12;29(6-7):491-7. doi: 10.1002/minf.201000053. Epub 2010 Jun 28.

Authors

Nikolas Fechner¹, Georg Hinselmann², Andreas Jahn², Lars Rosenbaum², Andreas Zell²

Affiliations

¹ Center for Bioinformatics, University of Tübingen, Sand 1, 72076 Tübingen, Germany. nikolas.fechner@uni-tuebingen.de.
² Center for Bioinformatics, University of Tübingen, Sand 1, 72076 Tübingen, Germany.

PMID: 27463327
DOI: 10.1002/minf.201000053

No abstract available

Keywords: Free-Wilson; Inverse QSAR; Kernel; QSAR; Selectivity.