A Summary of Solubility Models

Max Kuhn and Kjell Johnson
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Max Kuhn: Pfizer Global Research and Development, Division of Nonclinical Statistics
Kjell Johnson: Arbor Analytics

Chapter Chapter 9 in Applied Predictive Modeling, 2013, pp 221-223 from Springer

Abstract: Abstract In chapters 6-8, we developed a number of models to predict compounds’ solubility. In this chapter we compare and contrast the models’ performance and demonstrate how to select the optimal final model.

Keywords: Solubility Models; Final Optimal Model; Models Including Support Vector Machine; Resampling Results; Estimated Mean Difference (search for similar items in EconPapers)
Date: 2013
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-1-4614-6849-3_9

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DOI: 10.1007/978-1-4614-6849-3_9

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