Share on Facebook Tweet on Twitter Share on LinkedIn Share by email
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

Details

Publication typeArticle
Published inJournal of Computer Aided Molecular Design
> Publications > Estimating the Domain of Applicability for Machine Learning QSAR RModels: A Study on Aqueous Solubility of Drug Discovery Molecules