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Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules
Timon Sebastian Schroeter, Anton Schwaighofer, Sebastian Mika, Antonius Ter Laak, Detlev Suelzle, Ursula Ganzer, Nikolaus Heinrich, Klaus-Robert MüllerVolume:
21
Language:
english
Pages:
14
DOI:
10.1007/s10822-007-9125-z
Date:
September, 2007
File:
PDF, 939 KB
english, 2007