TY - JOUR A1 - Grotendorst, Johannes A1 - Eitrich, T. A1 - Kless, A. A1 - Druska, C. T1 - Classification of Highly Unbalanced CYP450 Data of Drugs Using Cost Sensitive Machine Learning Techniques / Eitrich, T. ; Kless, A. ; Druska, C. ; Meyer, W. ; Grotendorst J. JF - Journal of Chemical Information and Modeling. 47 (2007), H. 1 Y1 - 2007 SN - 1549-9596 SP - 92 EP - 103 ER - TY - JOUR A1 - Grotendorst, Johannes A1 - Jansen, Paul A1 - Schoberth, Siegfried T1 - On Solving the McConnell Equations in Biochemistry / Grotendorst, Johannes ; Jansen, Paul ; Schoberth, Siegfried JF - MapleTech. 1 (1993) Y1 - 1993 SN - 1061-5733 N1 - zgl. Technical Report KFA-ZAM-IB-9314 ; The Maple Technical Newsletter SP - 56 EP - 62 ER - TY - JOUR A1 - Grotendorst, Johannes A1 - Kless, A. A1 - Dickhaus, T. A1 - Meyer, W. T1 - Data Mining in der pharmazeutischen Forschung und Entwicklung / Kless, A. ; Dickhaus, T. ; Meyer, W. ; Grotendorst, J. JF - LITUS - Laboratory IT User Service. 1 (2004) Y1 - 2004 SP - 20 EP - 21 ER - TY - JOUR A1 - Grotendorst, Johannes A1 - Kless, A. A1 - Eitrich, T. T1 - Data Mining in F & E / Kless, A. ; Eitrich, T. ; Meyer, W. ; Grotendorst, J. JF - BioWorld: Magazin für Molekularbiologische und Biotechnologische Applikationen. 9 (2004), H. 2 Y1 - 2004 SN - 1424-8514 SP - 22 EP - 23 ER - TY - JOUR A1 - Grotendorst, Johannes A1 - Schoberth, S. M. A1 - Chapman, B. E. A1 - Kuchel, P. W. T1 - Ethanol Transport in Zymomonas mobilis Measured by Using in Vivo Nuclear Magnetic Resonance Spin Transfer / Schoberth, S. M. ; Chapman, B. E. ; Kuchel, P. W. ; Wittig, R. M. ; Grotendorst, Johannes ; Jansen, Paul ; Graaf, A. A. de JF - Journal of Bacteriology. 178 (1996), H. 6 Y1 - 1996 SN - 0021-9193 SP - 1756 EP - 1761 ER - TY - JOUR A1 - Grotendorst, Johannes A1 - Scott, Tony C. A1 - Aubert-Frécon, Monique T1 - New Approach for the Electronic Energies of the Hydrogen Molecular Ion / Scott, Tony C. ; Aubert-Frécon, Monique ; Grotendorst, Johannes JF - Chemical Physics. 324 (2006), H. 2/3 Y1 - 2006 SN - 0301-0104 SP - 323 EP - 338 ER - TY - JOUR A1 - Grotendorst, Johannes A1 - Scott, Tony C. A1 - Aubert-Frécon, Monique A1 - Andrae, D. T1 - Exchange Energy for Two-Active-Electron Diatomic Systems within the Surface Integral Method / Scott,T. C .; Aubert-Frécon, M. ; Andrae, D. ; Grotendorst, J. ; Morgan III, J. D. ; Glasser, M. L. JF - Applicable Algebra in Engineering, Communication and Computing. 15 (2004), H. 2 Y1 - 2004 SN - 0938-1279 N1 - zugl. Technical Report FZJ-ZAM-IB-2004-02, April 2004, 24 pages SP - 101 EP - 128 ER - TY - JOUR A1 - Grotendorst, Johannes A1 - Scott, Tony C. A1 - Aubert-Frécon, Monique A1 - Hadinger, Gisèle T1 - Asymptotically exact calculation of the exchange energies of one-active-electron diatomic ions with the surface integral method / Scott, Tony C. ; Aubert-Frécon, Monique ; Hadinger, Gisèle ; Andrae, Dirk ; Grotendorst, Johannes ; Morgan Ill, John D. JF - Journal of Physics B: Atomic, Molecular and Optival Physics. 37 (2004), H. 22 Y1 - 2004 SN - 0953-4075 SP - 4451 EP - 4469 ER - TY - BOOK A1 - Grotendorst, Johannes A1 - Scott, Tony C. A1 - Mann, Robert A1 - Martinez Il, Roberto E. T1 - General Relativity and Quantum Mechanics: Towards a Generalization of the Lambert W Function / Scott, Tony C. ; Mann, Robert ; Martinez Il, Roberto E. ; Grotendorst, Johannes Y1 - 2005 N1 - Technical Report FZJ-ZAM-IB-2005-10 CY - Jülich ER - TY - JOUR A1 - Grotendorst, Johannes A1 - Shuang-Ren, Zhao A1 - Halling, Horst T1 - Calculation of the Potential Distribution for a Three-Layer Spherical Volume Conductor / Shuang-Ren, Zhao ; Grotendorst, Johannes ; Halling, Horst JF - MapleTech . 2 (1996), H. 1 Y1 - 1996 SN - 1061-5733 N1 - zugl. Technical Report KFA-ZAM-IB-9511 ; The Maple Technical Newsletters SP - 59 EP - 66 ER -