Outliers detection in the statistical accuracy test of a pK_ a prediction

DOI10.1007/S10910-009-9609-2zbMATH Open1222.92075OpenAlexW2098879051MaRDI QIDQ848209FDOQ848209

Authors: Milan Meloun, Sylva Bordovská, Karel Kupka 

Publication date: 2 March 2010

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-009-9609-2

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zbMATH Keywords

outliersresidualsgoodness-of-fitdissociation constantsWilliams graph

Mathematics Subject Classification ID

Applications of statistics (62P99) Chemistry (92E99)

Cites Work

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Uses Software

• S-PLUS
• alr3
• Marvin
• SYBYL
• pKalc
• ADSTAT

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