Articles with "individual qsar" as a keyword



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Mixtures of QSAR models: Learning application domains of pK a predicto rs

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Published in 2020 at "Journal of Chemometrics"

DOI: 10.1002/cem.3223

Abstract: Quantitative structure‐activity relationship models (QSAR models) predict the physical properties or biological effects based on physicochemical properties or molecular descriptors of chemical structures. Our work focuses on the construction of optimal linear and nonlinear weighted… read more here.

Keywords: qsar models; qsar model; application; qsar ... See more keywords