Nikolai S. Zefirov

Publication Activity (10 Years)

Years Active: 1988-2014
Publications (10 Years): 0

Top Topics

Protein Protein Interactions

Top Venues

J. Cheminformatics

Publications

Sergey B. Sosnin, Vladimir A. Palyulin, Nikolai S. Zefirov
A new software for fragment-based QSAR and its applications. J. Cheminformatics 6 (S-1) (2014)
Dmitry I. Osolodkin, Liubov I. Kozlovskaya, Galina G. Karganova, Evgenia V. Dueva, Vladimir A. Palyulin, Nikolai S. Zefirov, Vladimir M. Pentkovski
Computational studies of flaviviruses: approaching to novel fusion inhibitors. J. Cheminformatics 4 (S-1) (2012)
Vladimir A. Palyulin, Dmitry I. Osolodkin, Nikolai S. Zefirov
Virtual screening workflow for glycogen synthase kinase 3β inhibitors: convergence of ligand-based and structure-based approaches. J. Cheminformatics 3 (S-1) (2011)
Vladimir A. Palyulin, Eugene V. Radchenko, Dmitry I. Osolodkin, Vladimir I. Chupakhin, Nikolai S. Zefirov
Ionotropic GABA receptors: modelling and design of selective ligands. J. Cheminformatics 2 (S-1) (2010)
Polina V. Oliferenko, Alexander A. Oliferenko, Gennadiy Poda, Vladimir A. Palyulin, Nikolai S. Zefirov, Alan R. Katritzky
New Developments in Hydrogen Bonding Acidity and Basicity of Small Organic Molecules for the Prediction of Physical and ADMET Properties. Part 2. The Universal Solvation Equation. J. Chem. Inf. Model. 49 (3) (2009)
Olexander Yakovenko, Alexander A. Oliferenko, Volodymyr G. Bdzhola, Vladimir A. Palyulin, Nikolai S. Zefirov
Kirchhoff atomic charges fitted to multipole moments: Implementation for a virtual screening system. J. Comput. Chem. 29 (8) (2008)
Andrey Melnikov, Vladimir A. Palyulin, Nikolai S. Zefirov
Generation of Molecular Graphs for QSAR Studies: An Approach Based on Supergraphs. J. Chem. Inf. Model. 47 (6) (2007)
Igor V. Tetko, Johann Gasteiger, Roberto Todeschini, Andrea Mauri, David J. Livingstone, Peter Ertl, Vladimir A. Palyulin, Eugene V. Radchenko, Nikolai S. Zefirov, Alexander S. Makarenko, Vsevolod Yu. Tanchuk, Volodymyr V. Prokopenko
Virtual Computational Chemistry Laboratory - Design and Description. J. Comput. Aided Mol. Des. 19 (6) (2005)
Alexander A. Oliferenko, Polina V. Oliferenko, Jonathan G. Huddleston, Robin D. Rogers, Vladimir A. Palyulin, Nikolai S. Zefirov, Alan R. Katritzky
Theoretical Scales of Hydrogen Bond Acidity and Basicity for Application in QSAR/QSPR Studies and Drug Design. Partitioning of Aliphatic Compounds. J. Chem. Inf. Model. 44 (3) (2004)
Nikolai S. Zefirov, Vladimir A. Palyulin
Fragmental Approach in QSPR. J. Chem. Inf. Comput. Sci. 42 (5) (2002)
Nikolai S. Zefirov, Vladimir A. Palyulin
QSAR for Boiling Points of "Small" Sulfides. Are the "High-Quality Structure-Property-Activity Regressions" the Real High Quality QSAR Models? J. Chem. Inf. Comput. Sci. 41 (4) (2001)
Vladimir A. Palyulin, Eugene V. Radchenko, Nikolai S. Zefirov
Molecular Field Topology Analysis Method in QSAR Studies of Organic Compounds. J. Chem. Inf. Comput. Sci. 40 (3) (2000)
Mariya I. Skvortsova, Igor I. Baskin, Ivan V. Stankevich, Vladimir A. Palyulin, Nikolai S. Zefirov
Molecular Similarity. 1. Analytical Description of the Set of Graph Similarity Measures. J. Chem. Inf. Comput. Sci. 38 (5) (1998)
Serge S. Tratch, Nikolai S. Zefirov
A Hierarchical Classification Scheme for Chemical Reactions. J. Chem. Inf. Comput. Sci. 38 (3) (1998)
Marina S. Molchanova, Nikolai S. Zefirov
Irredundant Generation of Isomeric Molecular Structures with Some Known Fragments. J. Chem. Inf. Comput. Sci. 38 (1) (1998)
Serge S. Tratch, Nikolai S. Zefirov
Systematic Search for New Types of Chemical Interconversions: Mathematical Models and Some Applications. J. Chem. Inf. Comput. Sci. 38 (3) (1998)
Nikolai S. Zefirov, Serge S. Tratch
Some Notes on Randic-Razinger's Approach to Characterization of Molecular Shapes. J. Chem. Inf. Comput. Sci. 37 (5) (1997)
Alexander Yu. Zotov, Vladimir A. Palyulin, Nikolai S. Zefirov
RICON-The Computer Program for the Quantitative Investigations of Cyclic Organic Molecule Conformations. J. Chem. Inf. Comput. Sci. 37 (4) (1997)
Igor I. Baskin, Vladimir A. Palyulin, Nikolai S. Zefirov
A Neural Device for Searching Direct Correlations between Structures and Properties of Chemical Compounds. J. Chem. Inf. Comput. Sci. 37 (4) (1997)
Mikhail E. Muzychuk, Mikhail H. Klin, Nikolai S. Zefirov
on the Mathematical Model of Triangulanes. Discret. Appl. Math. 67 (1-3) (1996)
Serge S. Tratch, Nikolai S. Zefirov
Algebraic Chirality Criteria and Their Application to Chirality Classification in Rigid Molecular Systems. J. Chem. Inf. Comput. Sci. 36 (3) (1996)
Sergey A. Shpilkin, Evgenii A. Smolenskii, Nikolai S. Zefirov
Topological Structure of the Configuration Space and the Separation of Spin and Spatial Variables for N-Electron Systems. J. Chem. Inf. Comput. Sci. 36 (3) (1996)
Marina S. Molchanova, Vladimir V. Shcherbukhin, Nikolai S. Zefirov
Computer Generation of Molecular Structures by the SMOG Program. J. Chem. Inf. Comput. Sci. 36 (4) (1996)
Vladimir V. Shcherbukhin, Nikolai S. Zefirov
Investigation of Carbocationic Rearrangements by the ICAR Program. J. Chem. Inf. Comput. Sci. 35 (1) (1995)
Igor I. Baskin, Mariya I. Skvortsova, Ivan V. Stankevich, Nikolai S. Zefirov
On the Basis of Invariants of Labeled Molecular Graphs. J. Chem. Inf. Comput. Sci. 35 (3) (1995)
Sergei V. Trepalin, Alexander V. Yarkov, Ludmila M. Dolmatova, Nikolai S. Zefirov, Simon A. E. Finch
WinDat: An NMR Database Compilation Tool, User Interface, and Spectrum Libraries for Personal Computers. J. Chem. Inf. Comput. Sci. 35 (3) (1995)
Nikolai S. Zefirov, Igor I. Baskin, Vladimir A. Palyulin
SYMBEQ Program and Its Application in Computer-Assisted Reaction Design. J. Chem. Inf. Comput. Sci. 34 (4) (1994)
Ivan V. Stankevich, Elena G. Gal'pern, Anatolii L. Chistyakov, Igor I. Baskin, Mariya I. Skvortsova, Nikolai S. Zefirov, Oleg B. Tomilin
Spectral Theory of Graphs in Chemistry. 1. Projection Operators and Canonical Numeration of Graph Vertices. J. Chem. Inf. Comput. Sci. 34 (5) (1994)
Ekaterina Gordeeva, Alan R. Katritzky, Vladimir V. Shcherbukhin, Nikolai S. Zefirov
Rapid conversion of molecular graphs to three-dimensional representation using the MOLGEO program. J. Chem. Inf. Comput. Sci. 33 (1) (1993)
Mariya I. Skvortsova, Igor I. Baskin, Olga L. Slovokhotova, Vladimir A. Palyulin, Nikolai S. Zefirov
Inverse problem in QSAR/QSPR studies for the case of topological indexes characterizing molecular shape (Kier indices). J. Chem. Inf. Comput. Sci. 33 (4) (1993)
Serge S. Tratch, O. A. Lomova, D. V. Sukhachev, Vladimir A. Palyulin, Nikolai S. Zefirov
Generation of molecular graphs for QSAR studies: an approach based on acyclic fragment combinations. J. Chem. Inf. Comput. Sci. 32 (2) (1992)
Dmitry E. Lushnikov, Nikolai S. Zefirov
Fragmentations and the "feeling of goal" in computer-assisted synthesis. J. Chem. Inf. Comput. Sci. 32 (4) (1992)
Nikolai S. Zefirov, Ekaterina Gordeeva, Serge S. Tratch
Problems of molecular design and the computer. 11. The FLAMINGOES program system for the nonempirical solution of structural problems of organic chemistry. The BASIC program oriented for the microcomputer. J. Chem. Inf. Comput. Sci. 28 (4) (1988)