Vitaly P. Solov'ev

Publication Activity (10 Years)

Years Active: 2000-2017
Publications (10 Years): 1

Top Topics

Multiple Classifiers

Ensemble Methods

Chemical Reactions

Generative Topographic Mapping

Top Venues

J. Comput. Aided Mol. Des.

J. Chem. Inf. Model.

Publications

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) (2017)
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) (2014)
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) (2012)
Alexandre Varnek, Natalia 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) (2007)
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) (2007)
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) (2006)
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) (2005)
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) (2004)
Alan R. Katritzky, Dan C. Fara, Hongfang Yang, Mati Karelson, Takahiro Suzuki, Vitaly P. Solov'ev, Alexandre Varnek
-Cyclodextrin Complexation Free Energies. J. Chem. Inf. Model. 44 (2) (2004)
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) (2003)
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) (2002)
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) (2000)