"Estimating the domain of applicability for machine learning QSAR models: a ..."

Timon Schroeter et al. (2007)

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DOI: 10.1007/S10822-007-9160-9

access: closed

type: Journal Article

metadata version: 2022-01-03

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  - https://dblp.org/rec/journals/jcamd/SchroeterSMLSGHM07a
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(12): 651-664 (2007)

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