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 MüllerPublished in: J. Comput. Aided Mol. Des. (2007)