Modeling of Ion Complexation and Extraction Using Substructural Molecular Fragments. - Vitaly P. Solov'ev; Alexandre Varnek; Georges Wipff (J. Chem. Inf. Comput. Sci., 2000)

Assessment of the Macrocyclic Effect for the Complexation of Crown-Ethers with Alkali Cations Using the Substructural Molecular Fragments Method. - Alexandre Varnek; Georges Wipff; Vitaly P. Solov'ev; A. F. Solotnov (J. Chem. Inf. Comput. Sci., 2002)

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. - Vitaly P. Solov'ev; Alexandre Varnek (J. Chem. Inf. Comput. Sci., 2003)

Quantitative Structure-Property Relationship Modeling of beta-Cyclodextrin Complexation Free Energies. - Alan R. Katritzky; Dan C. Fara; Hongfang Yang; Mati Karelson; Takahiro Suzuki; Vitaly P. Solov'ev; Alexandre Varnek (J. Chem. Inf. Model., 2004)

"In Silico" Design of New Uranyl Extractants Based on Phosphoryl-Containing Podands: QSPR Studies, Generation and Screening of Virtual Combinatorial Library, and Experimental Tests. - Alexandre Varnek; Denis Fourches; Vitaly P. Solov'ev; Vladimir E. Baulin; Alexander N. Turanov; Vasili K. Karandashev; Dan C. Fara; Alan R. Katritzky (J. Chem. Inf. Model., 2004)

Substructural fragments: an universal language to encode reactions, molecular and supramolecular structures. - Alexandre Varnek; Denis Fourches; Frank Hoonakker; Vitaly P. Solov'ev (J. Comput. Aided Mol. Des., 2005)

Benchmarking of Linear and Nonlinear Approaches for Quantitative Structure-Property Relationship Studies of Metal Complexation with Ionophores. - 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 (J. Chem. Inf. Model., 2006)

Stochastic versus Stepwise Strategies for Quantitative Structure-Activity Relationship GenerationHow Much Effort May the Mining for Successful QSAR Models Take? - Dragos Horvath; Fanny Bonachéra; Vitaly P. Solov'ev; Cédric Gaudin; Alexandre Varnek (J. Chem. Inf. Model., 2007)

Exhaustive QSPR Studies of a Large Diverse Set of Ionic Liquids: How Accurately Can We Predict Melting Points? - Alexandre Varnek; Natalia V. Kireeva; Igor V. Tetko; Igor I. Baskin; Vitaly P. Solov'ev (J. Chem. Inf. Model., 2007)

Mining Chemical Reactions Using Neighborhood Behavior and Condensed Graphs of Reactions Approaches. - Aurélie de Luca; Dragos Horvath; Gilles Marcou; Vitaly P. Solov'ev; Alexandre Varnek (J. Chem. Inf. Model., 2012)

QSPR ensemble modelling of the 1: 1 and 1: 2 complexation of Co2+, Ni2+, and Cu2+ with organic ligands: relationships between stability constants. - Vitaly P. Solov'ev; Alexandre Varnek; Aslan Yu. Tsivadze (J. Comput. Aided Mol. Des., 2014)

Predictive cartography of metal binders using generative topographic mapping. - Igor I. Baskin; Vitaly P. Solov'ev; Alexander A. Bagatur'yants; Alexandre Varnek (J. Comput. Aided Mol. Des., 2017)