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10Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLIgor V. Tetko, Vitaly P. Solov'ev, Alexey V. Antonov, Xiaojun Yao, Jean-Pierre Doucet, Bo Tao Fan, Frank Hoonakker, Denis Fourches, Piere Jost, Nicolas Lachiche, Alexandre Varnek: Benchmarking of Linear and Nonlinear Approaches for Quantitative Structure-Property Relationship Studies of Metal Complexation with Ionophores. Journal of Chemical Information and Modeling 46(2): 808-819 (2006)
2004
9Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLAlan R. Katritzky, Dan C. Fara, Hongfang Yang, Mati Karelson, Takahiro Suzuki, Vitaly P. Solov'ev, Alexandre Varnek: Quantitative Structure-Property Relationship Modeling of beta-Cyclodextrin Complexation Free Energies. Journal of Chemical Information and Modeling 44(2): 529-541 (2004)
8Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLAlexandre Varnek, Denis Fourches, Vitaly P. Solov'ev, Vladimir E. Baulin, Alexander N. Turanov, Vasili K. Karandashev, Dan C. Fara, Alan R. Katritzky: "In Silico" Design of New Uranyl Extractants Based on Phosphoryl-Containing Podands: QSPR Studies, Generation and Screening of Virtual Combinatorial Library, and Experimental Tests. Journal of Chemical Information and Modeling 44(4): 1365-1382 (2004)
2003
7Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLVitaly P. Solov'ev, Alexandre Varnek: Anti-HIV Activity of HEPT, TIBO, and Cyclic Urea Derivatives: Structure-Property Studies, Focused Combinatorial Library Generation, and Hits Selection Using Substructural Molecular Fragments Method. Journal of Chemical Information and Computer Sciences 43(5): 1703-1719 (2003)
2002
6Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLAlexandre Varnek, Georges Wipff, Vitaly P. Solov'ev, A. F. Solotnov: Assessment of the Macrocyclic Effect for the Complexation of Crown-Ethers with Alkali Cations Using the Substructural Molecular Fragments Method. Journal of Chemical Information and Computer Sciences 42(4): 812-829 (2002)
2000
5Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLVitaly P. Solov'ev, Alexandre Varnek, Georges Wipff: Modeling of Ion Complexation and Extraction Using Substructural Molecular Fragments. Journal of Chemical Information and Computer Sciences 40(3): 847-858 (2000)
1998
4Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLAlexandre Varnek, Severine Helissen, Georges Wipff, André Collet: van der Waals host-guest complexes: Can one predict complexation selectivity of neutral guests by a cryptophane? MD-FEP studies in gas phase and chloroform solution. Journal of Computational Chemistry 19(8): 820-832 (1998)
1996
3Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLAlexandre Varnek, Georges Wipff: Theoretical calculations of extraction selectivity: Alkali cation complexes of calix[4]-bis-crown6 in pure water, chloroform, and at a water/chloroform interface. Journal of Computational Chemistry 17(13): 1520-1531 (1996)
2Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLRandy J. Zauhar, Alexandre Varnek: A fast and Space-Efficient boundary element method for computing electrostatic and hydration effects in large molecules. Journal of Computational Chemistry 17(7): 864-877 (1996)
1995
1no EE pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLAlexandre Varnek, Georges Wipff, A. S. Glebov, D. Feil: An Application of the Miertus-Scrocco-Tomasi Solvation Model in Molecular Mechanics and Dynamics Simulations. Journal of Computational Chemistry 16(1): 1-19 (1995)

Coauthor Index

1Alexey V. Antonov [10]
2Vladimir E. Baulin [8]
3André Collet [4]
4Jean-Pierre Doucet [10]
5Bo Tao Fan [10]
6Dan C. Fara [8] [9]
7D. Feil [1]
8Denis Fourches [8] [10]
9A. S. Glebov [1]
10Severine Helissen [4]
11Frank Hoonakker [10]
12Piere Jost [10]
13Vasili K. Karandashev [8]
14Mati Karelson [9]
15Alan R. Katritzky [8] [9]
16Nicolas Lachiche [10]
17A. F. Solotnov [6]
18Vitaly P. Solov'ev [5] [6] [7] [8] [9] [10]
19Takahiro Suzuki [9]
20Igor V. Tetko [10]
21Alexander N. Turanov [8]
22Georges Wipff [1] [3] [4] [5] [6]
23Hongfang Yang [9]
24Xiaojun Yao [10]
25Randy J. Zauhar [2]

Colors in the list of coauthors

Copyright © Sat Nov 28 20:06:51 2009 by Michael Ley (ley@uni-trier.de)