Kramer C, Heinisch T, Fligge T, Beck B, Clark T (2009)
Publication Status: Published
Publication Type: Journal article
Publication year: 2009
Publisher: Wiley-VCH Verlag
Book Volume: 4
Pages Range: 1529-1536
Journal Issue: 9
Herein, we describe a new dataset of kinetic aqueous solubilities determined by nephelometry for 711 druglike compounds. The solubilities are reported in twelve classes ranging from < 2 mu g mL(-1) to > 250 mu g mL(-1). The measurements were designed to provide the appropriate data for applications in the early phases of drug discovery. Three class classification models (insoluble, moderately soluble, soluble) were built using the random forest algorithm and their performance for this dataset was analyzed.
APA:
Kramer, C., Heinisch, T., Fligge, T., Beck, B., & Clark, T. (2009). A Consistent Dataset of Kinetic Solubilities for Early-Phase Drug Discovery. ChemMedChem, 4(9), 1529-1536. https://doi.org/10.1002/cmdc.200900205
MLA:
Kramer, Christian, et al. "A Consistent Dataset of Kinetic Solubilities for Early-Phase Drug Discovery." ChemMedChem 4.9 (2009): 1529-1536.
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