Gerrit Schüürmann

Johannes Schwöbel, Ralf-Uwe Ebert, Ralph Kühne, Gerrit Schüürmann: Modeling the H bond donor strength of -OH, -NH, and -CH sites by local molecular parameters. Journal of Computational Chemistry 30(9): 1454-1464 (2009)

Ralph Kühne, Ralf-Uwe Ebert, Gerrit Schüürmann: Model Selection Based on Structural Similarity-Method Description and Application to Water Solubility Prediction. Journal of Chemical Information and Modeling 46(2): 636-641 (2006)

Tatiana I. Netzeva, Aynur O. Aptula, Emilio Benfenati, Mark T. D. Cronin, Giuseppina C. Gini, Iglika Lessigiarska, Uko Maran, Marjan Vracko, Gerrit Schüürmann: Description of the Electronic Structure of Organic Chemicals Using Semiempirical and Ab Initio Methods for Development of Toxicological QSARs. Journal of Chemical Information and Modeling 45(1): 106-114 (2005)

Gerrit Schüürmann, Simona Funar-Timofei: Multilinear Regression and Comparative Molecular Field Analysis (CoMFA) of Azo Dye-Fiber Affinities. 2. Inclusion of Solution-Phase Molecular Orbital Descriptors. Journal of Chemical Information and Computer Sciences 43(5): 1502-1512 (2003)

Simona Funar-Timofei, Gerrit Schüürmann: Comparative Molecular Field Analysis (CoMFA) of Anionic Azo Dye-Fiber Affinities I: Gas-Phase Molecular Orbital Descriptors. Journal of Chemical Information and Computer Sciences 42(4): 788-795 (2002)

Mark T. D. Cronin, Aynur O. Aptula, John C. Dearden, Judith C. Duffy, Tatiana I. Netzeva, Hiren Patel, Philip H. Rowe, T. Wayne Schultz, Andrew P. Worth, Konstantinos Voutzoulidis, Gerrit Schüürmann: Structure-Based Classification of Antibacterial Activity. Journal of Chemical Information and Computer Sciences 42(4): 869-878 (2002)

Takahiro Suzuki, Ralf-Uwe Ebert, Gerrit Schüürmann: Application of Neural Networks to Modeling and Estimating Temperature-Dependent Liquid Viscosity of Organic Compounds. Journal of Chemical Information and Computer Sciences 41(3): 776-790 (2001)

Gerrit Schüürmann: Prediction of Henry's law constant of benzene derivatives using quantum chemical continuum-solvation models. Journal of Computational Chemistry 21(1): 17-34 (2000)

Yoshio Iwai, Kohei Yoshida, Yasuhiko Arai, Gerrit Schüürmann, Björn Loeprecht, Walter M. F. Fabian, Takahiro Suzuki: Analysis of the Flow Patterns of Liquid Organic Compounds between Blade Electrodes by Classification Models. Journal of Chemical Information and Computer Sciences 40(4): 988-993 (2000)

Julian M. Ivanov, Gerrit Schüürmann: Simple Algorithms for Determining the Molecular Symmetry. Journal of Chemical Information and Computer Sciences 39(4): 728-737 (1999)

Takahiro Suzuki, Ralf-Uwe Ebert, Gerrit Schüürmann: Development of Both Linear and Nonlinear Methods To Predict the Liquid Viscosity at 20 C of Organic Compounds. Journal of Chemical Information and Computer Sciences 37(6): 1122-1128 (1997)