@ARTICLE{SchSchMikLaaSueGanHeiMue07d, author = {Schroeter, Timon and Schwaighofer, Anton and Mika, Sebastian and Laak, Antonius Ter and Suelzle, Detlev and Ganzer, Ursula and Heinrich, Nikolaus and M{\"u}ller, Klaus-Robert}, title = "Estimating the Domain of Applicability for Machine Learning QSAR RModels: A Study on Aqueous Solubility of Drug Discovery Molecules", journal = "Journal of Computer Aided Molecular Design - regular issue", year = "2007", volume = "21", pages = "651--664", number = "12", commentida = "this IS disctinct from SchSchMikLaaSueGanHeiMue07b, despite the fact that title and authors are identical. It was reprinted in the regular issue, after having been accepted for the special isse.", pdf = "http://doc.ml.tu-berlin.de/publications/publications/Schroeter\_Schwaighofer\_JCAMD\_2007\_draft.pdf", url = "http://dx.doi.org/10.1007/s10822-007-9160-9" }