Timon Schroeter, Anton Schwaighofer, Sebastian Mika, Antonius ter Laak, Detlev Sülzle, Ursula Ganzer, Nikolaus Heinrich, Klaus-Robert Müller. Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules. Journal of Computer-Aided Molecular Design, 21(9):485-498, 2007. [doi]
Abstract is missing.