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Disambiguation of "Kühne, Ralph"

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Diagnostic of tautomer behaviour on QSAR models and AM1 optimisation.

, , , , , , and . J. Cheminformatics, 3 (S-1): 24 (2011)

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Ralph Kühne

Ralph Kühne

Ralph Kühne

John Ralph

Andreas Kühne

 

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Chemical Domain of QSAR Models from Atom-Centered Fragments., , and . Journal of Chemical Information and Modeling, 49 (12): 2660-2669 (2009)Prediction of the Intrinsic Hydrogen Bond Acceptor Strength of Organic Compounds by Local Molecular Parameters., , , and . Journal of Chemical Information and Modeling, 49 (4): 956-962 (2009)Prediction of the partition coefficient between air and body compartments from the chemical structure., , , and . J. Cheminformatics, 2 (S-1): 9 (2010)Modeling the H bond donor strength of -OH, -NH, and -CH sites by local molecular parameters., , , and . J. Comput. Chem., 30 (9): 1454-1464 (2009)Modelling dissociation constants of organic acids by local molecular parameters., , , and . J. Cheminformatics, 2 (S-1): 10 (2010)Comparative Analysis of QSAR Models for Predicting pKa of Organic Oxygen Acids and Nitrogen Bases from Molecular Structure., , , and . Journal of Chemical Information and Modeling, 50 (11): 1949-1960 (2010)External Validation and Prediction Employing the Predictive Squared Correlation Coefficient Test Set Activity Mean vs Training Set Activity Mean., , , , and . Journal of Chemical Information and Modeling, 48 (11): 2140-2145 (2008)Enabling real-time charging for smart grid infrastructures using in-memory databases., , , and . LCN, page 1040-1045. IEEE Computer Society, (2010)Model Selection Based on Structural Similarity-Method Description and Application to Water Solubility Prediction., , and . Journal of Chemical Information and Modeling, 46 (2): 636-641 (2006)Prediction of the Dissociation Constant pKa of Organic Acids from Local Molecular Parameters of Their Electronic Ground State., , , and . Journal of Chemical Information and Modeling, 51 (9): 2336-2344 (2011)