Gerrit Schüürmann
Orcid: 0000-0002-3789-1703
According to our database1,
Gerrit Schüürmann
authored at least 21 papers
between 1997 and 2011.
Collaborative distances:
Collaborative distances:
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Bibliography
2011
Prediction of the Dissociation Constant p<i>K</i><sub>a</sub> of Organic Acids from Local Molecular Parameters of Their Electronic Ground State.
J. Chem. Inf. Model., 2011
J. Cheminformatics, 2011
2010
Comparative Analysis of QSAR Models for Predicting p<i>K</i><sub>a</sub> of Organic Oxygen Acids and Nitrogen Bases from Molecular Structure.
J. Chem. Inf. Model., 2010
J. Chem. Inf. Model., 2010
J. Cheminformatics, 2010
Prediction of the partition coefficient between air and body compartments from the chemical structure.
J. Cheminformatics, 2010
2009
Prediction of the Intrinsic Hydrogen Bond Acceptor Strength of Organic Compounds by Local Molecular Parameters.
J. Chem. Inf. Model., 2009
J. Chem. Inf. Model., 2009
Modeling the H bond donor strength of -OH, -NH, and -CH sites by local molecular parameters.
J. Comput. Chem., 2009
2008
External Validation and Prediction Employing the Predictive Squared Correlation Coefficient Test Set Activity Mean vs Training Set Activity Mean.
J. Chem. Inf. Model., 2008
2006
Model Selection Based on Structural Similarity-Method Description and Application to Water Solubility Prediction.
J. Chem. Inf. Model., 2006
2005
Description of the Electronic Structure of Organic Chemicals Using Semiempirical and Ab Initio Methods for Development of Toxicological QSARs.
J. Chem. Inf. Model., 2005
2003
Multilinear Regression and Comparative Molecular Field Analysis (CoMFA) of Azo Dye-Fiber Affinities. 2. Inclusion of Solution-Phase Molecular Orbital Descriptors.
J. Chem. Inf. Comput. Sci., 2003
2002
Comparative Molecular Field Analysis (CoMFA) of Anionic Azo Dye-Fiber Affinities I: Gas-Phase Molecular Orbital Descriptors.
J. Chem. Inf. Comput. Sci., 2002
J. Chem. Inf. Comput. Sci., 2002
2001
Application of Neural Networks to Modeling and Estimating Temperature-Dependent Liquid Viscosity of Organic Compounds.
J. Chem. Inf. Comput. Sci., 2001
2000
Analysis of the Flow Patterns of Liquid Organic Compounds between Blade Electrodes by Classification Models.
J. Chem. Inf. Comput. Sci., 2000
Prediction of Henry's law constant of benzene derivatives using quantum chemical continuum-solvation models.
J. Comput. Chem., 2000
1999
J. Chem. Inf. Comput. Sci., 1999
1997
Development of Both Linear and Nonlinear Methods To Predict the Liquid Viscosity at 20 C of Organic Compounds.
J. Chem. Inf. Comput. Sci., 1997