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"Estimating the domain of applicability for machine learning QSAR models: a ..."
Timon Schroeter et al. (2007)
- 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. J. Comput. Aided Mol. Des. 21(9): 485-498 (2007)
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