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Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules.

Timon SchroeterAnton SchwaighoferSebastian MikaAntonius ter LaakDetlev SülzleUrsula GanzerNikolaus HeinrichKlaus-Robert Müller
Published in: J. Comput. Aided Mol. Des. (2007)
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