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Vitaly P. Solov'ev
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2010 – 2019
- 2017
- [j12]Igor I. Baskin
, Vitaly P. Solov'ev
, Alexander A. Bagatur'yants, Alexandre Varnek
:
Predictive cartography of metal binders using generative topographic mapping. J. Comput. Aided Mol. Des. 31(8): 701-714 (2017) - 2014
- [j11]Vitaly P. Solov'ev
, Alexandre Varnek, Aslan Yu. Tsivadze:
QSPR ensemble modelling of the 1: 1 and 1: 2 complexation of Co2+, Ni2+, and Cu2+ with organic ligands: relationships between stability constants. J. Comput. Aided Mol. Des. 28(5): 549-564 (2014) - 2012
- [j10]Aurélie de Luca, Dragos Horvath, Gilles Marcou
, Vitaly P. Solov'ev
, Alexandre Varnek:
Mining Chemical Reactions Using Neighborhood Behavior and Condensed Graphs of Reactions Approaches. J. Chem. Inf. Model. 52(9): 2325-2338 (2012)
2000 – 2009
- 2007
- [j9]Dragos Horvath, Fanny Bonachéra, Vitaly P. Solov'ev
, Cédric Gaudin, Alexandre Varnek:
Stochastic versus Stepwise Strategies for Quantitative Structure-Activity Relationship GenerationHow Much Effort May the Mining for Successful QSAR Models Take? J. Chem. Inf. Model. 47(3): 927-939 (2007) - [j8]Alexandre Varnek, Natalia V. Kireeva
, Igor V. Tetko
, Igor I. Baskin
, Vitaly P. Solov'ev
:
Exhaustive QSPR Studies of a Large Diverse Set of Ionic Liquids: How Accurately Can We Predict Melting Points? J. Chem. Inf. Model. 47(3): 1111-1122 (2007) - 2006
- [j7]Igor 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. J. Chem. Inf. Model. 46(2): 808-819 (2006) - 2005
- [j6]Alexandre Varnek, Denis Fourches
, Frank Hoonakker, Vitaly P. Solov'ev
:
Substructural fragments: an universal language to encode reactions, molecular and supramolecular structures. J. Comput. Aided Mol. Des. 19(9-10): 693-703 (2005) - 2004
- [j5]Alan 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. J. Chem. Inf. Model. 44(2): 529-541 (2004) - [j4]Alexandre 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. J. Chem. Inf. Model. 44(4): 1365-1382 (2004) - 2003
- [j3]Vitaly 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. J. Chem. Inf. Comput. Sci. 43(5): 1703-1719 (2003) - 2002
- [j2]Alexandre 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. J. Chem. Inf. Comput. Sci. 42(4): 812-829 (2002) - 2000
- [j1]Vitaly P. Solov'ev
, Alexandre Varnek, Georges Wipff:
Modeling of Ion Complexation and Extraction Using Substructural Molecular Fragments. J. Chem. Inf. Comput. Sci. 40(3): 847-858 (2000)
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