Estimating the Domain of Applicability for Machine Learning QSAR RModels: A Study on Aqueous Solubility of Drug Discovery Molecules - Microsoft Research

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Estimating the Domain of Applicability for Machine Learning QSAR RModels: A Study on Aqueous Solubility of Drug Discovery Molecules

Timon Schroeter, Anton Schwaighofer, Sebastian Mika, Antonius ter Laak, Detlev Sülzle, Ursula Ganzer, Nikolaus Heinrich, and Klaus-Robert Müller
2007

schroeter_schwaighofer_jcamd_2007_draft.pdf

In Journal of Computer Aided Molecular Design

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Anton Schwaighofer

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