Nikolai S. Zefirov

According to our database, Nikolai S. Zefirov authored at least 34 papers between 1988 and 2014.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of three.

2014

A new software for fragment-based QSAR and its applications.

Sergey B. Sosnin, Vladimir A. Palyulin, Nikolai S. Zefirov

J. Cheminformatics, 2014

2012

Computational studies of flaviviruses: approaching to novel fusion inhibitors.

Dmitry I. Osolodkin, Liubov I. Kozlovskaya, Galina G. Karganova, Evgenia V. Dueva, Vladimir A. Palyulin, Nikolai S. Zefirov, Vladimir M. Pentkovski

J. Cheminformatics, 2012

2011

Virtual screening workflow for glycogen synthase kinase 3β inhibitors: convergence of ligand-based and structure-based approaches.

Vladimir A. Palyulin, Dmitry I. Osolodkin, Nikolai S. Zefirov

J. Cheminformatics, 2011

2010

Ionotropic GABA receptors: modelling and design of selective ligands.

Vladimir A. Palyulin, Eugene V. Radchenko, Dmitry I. Osolodkin, Vladimir I. Chupakhin, Nikolai S. Zefirov

J. Cheminformatics, 2010

2009

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.

Polina V. Oliferenko, Alexander A. Oliferenko, Gennadiy Poda, Vladimir A. Palyulin, Nikolai S. Zefirov, Alan R. Katritzky

J. Chem. Inf. Model., 2009

Neural Networks in Building QSAR Models.

Igor I. Baskin, Vladimir A. Palyulin, Nikolai S. Zefirov

Proceedings of the Artificial Neural Networks, 2009

2008

Kirchhoff atomic charges fitted to multipole moments: Implementation for a virtual screening system.

Olexander Yakovenko, Alexander A. Oliferenko, Volodymyr G. Bdzhola, Vladimir A. Palyulin, Nikolai S. Zefirov

J. Comput. Chem., 2008

2007

Generation of Molecular Graphs for QSAR Studies: An Approach Based on Supergraphs.

Andrey Melnikov, Vladimir A. Palyulin, Nikolai S. Zefirov

J. Chem. Inf. Model., 2007

2005

Virtual Computational Chemistry Laboratory - Design and Description.

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

J. Comput. Aided Mol. Des., 2005

2004

Theoretical Scales of Hydrogen Bond Acidity and Basicity for Application in QSAR/QSPR Studies and Drug Design. Partitioning of Aliphatic Compounds.

Alexander A. Oliferenko, Polina V. Oliferenko, Jonathan G. Huddleston, Robin D. Rogers, Vladimir A. Palyulin, Nikolai S. Zefirov, Alan R. Katritzky

J. Chem. Inf. Model., 2004

2002

Fragmental Approach in QSPR.

Nikolai S. Zefirov, Vladimir A. Palyulin

J. Chem. Inf. Comput. Sci., 2002

2001

QSAR for Boiling Points of "Small" Sulfides. Are the "High-Quality Structure-Property-Activity Regressions" the Real High Quality QSAR Models?

Nikolai S. Zefirov, Vladimir A. Palyulin

J. Chem. Inf. Comput. Sci., 2001

2000

Molecular Field Topology Analysis Method in QSAR Studies of Organic Compounds.

Vladimir A. Palyulin, Eugene V. Radchenko, Nikolai S. Zefirov

J. Chem. Inf. Comput. Sci., 2000

1998

A Hierarchical Classification Scheme for Chemical Reactions.

Serge S. Tratch, Nikolai S. Zefirov

J. Chem. Inf. Comput. Sci., 1998

Systematic Search for New Types of Chemical Interconversions: Mathematical Models and Some Applications.

Serge S. Tratch, Nikolai S. Zefirov

J. Chem. Inf. Comput. Sci., 1998

Molecular Similarity. 1. Analytical Description of the Set of Graph Similarity Measures.

Mariya I. Skvortsova, Igor I. Baskin, Ivan V. Stankevich, Vladimir A. Palyulin, Nikolai S. Zefirov

J. Chem. Inf. Comput. Sci., 1998

Irredundant Generation of Isomeric Molecular Structures with Some Known Fragments.

Marina S. Molchanova, Nikolai S. Zefirov

J. Chem. Inf. Comput. Sci., 1998

1997

RICON-The Computer Program for the Quantitative Investigations of Cyclic Organic Molecule Conformations.

Alexander Yu. Zotov, Vladimir A. Palyulin, Nikolai S. Zefirov

J. Chem. Inf. Comput. Sci., 1997

Some Notes on Randic-Razinger's Approach to Characterization of Molecular Shapes.

Nikolai S. Zefirov, Serge S. Tratch

J. Chem. Inf. Comput. Sci., 1997

A Neural Device for Searching Direct Correlations between Structures and Properties of Chemical Compounds.

Igor I. Baskin, Vladimir A. Palyulin, Nikolai S. Zefirov

J. Chem. Inf. Comput. Sci., 1997

1996

Algebraic Chirality Criteria and Their Application to Chirality Classification in Rigid Molecular Systems.

Serge S. Tratch, Nikolai S. Zefirov

J. Chem. Inf. Comput. Sci., 1996

Topological Structure of the Configuration Space and the Separation of Spin and Spatial Variables for N-Electron Systems.

Sergey A. Shpilkin, Evgenii A. Smolenskii, Nikolai S. Zefirov

J. Chem. Inf. Comput. Sci., 1996

Computer Generation of Molecular Structures by the SMOG Program.

Marina S. Molchanova, Vladimir V. Shcherbukhin, Nikolai S. Zefirov

J. Chem. Inf. Comput. Sci., 1996

on the Mathematical Model of Triangulanes.

Mikhail E. Muzychuk, Mikhail H. Klin, Nikolai S. Zefirov

Discret. Appl. Math., 1996

1995

WinDat: An NMR Database Compilation Tool, User Interface, and Spectrum Libraries for Personal Computers.

Sergei V. Trepalin, Alexander V. Yarkov, Ludmila M. Dolmatova, Nikolai S. Zefirov, Simon A. E. Finch

J. Chem. Inf. Comput. Sci., 1995

Investigation of Carbocationic Rearrangements by the ICAR Program.

Vladimir V. Shcherbukhin, Nikolai S. Zefirov

J. Chem. Inf. Comput. Sci., 1995

On the Basis of Invariants of Labeled Molecular Graphs.

Igor I. Baskin, Mariya I. Skvortsova, Ivan V. Stankevich, Nikolai S. Zefirov

J. Chem. Inf. Comput. Sci., 1995

1994

SYMBEQ Program and Its Application in Computer-Assisted Reaction Design.

Nikolai S. Zefirov, Igor I. Baskin, Vladimir A. Palyulin

J. Chem. Inf. Comput. Sci., 1994

Spectral Theory of Graphs in Chemistry. 1. Projection Operators and Canonical Numeration of Graph Vertices.

Ivan V. Stankevich, Elena G. Gal'pern, Anatolii L. Chistyakov, Igor I. Baskin, Mariya I. Skvortsova, Nikolai S. Zefirov, Oleg B. Tomilin

J. Chem. Inf. Comput. Sci., 1994

1993

Inverse problem in QSAR/QSPR studies for the case of topological indexes characterizing molecular shape (Kier indices).

Mariya I. Skvortsova, Igor I. Baskin, Olga L. Slovokhotova, Vladimir A. Palyulin, Nikolai S. Zefirov

J. Chem. Inf. Comput. Sci., 1993

Rapid conversion of molecular graphs to three-dimensional representation using the MOLGEO program.

Ekaterina Gordeeva, Alan R. Katritzky, Vladimir V. Shcherbukhin, Nikolai S. Zefirov

J. Chem. Inf. Comput. Sci., 1993

1992

Generation of molecular graphs for QSAR studies: an approach based on acyclic fragment combinations.

Serge S. Tratch, O. A. Lomova, D. V. Sukhachev, Vladimir A. Palyulin, Nikolai S. Zefirov

J. Chem. Inf. Comput. Sci., 1992

Fragmentations and the "feeling of goal" in computer-assisted synthesis.

Dmitry E. Lushnikov, Nikolai S. Zefirov

J. Chem. Inf. Comput. Sci., 1992

1988

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.

Nikolai S. Zefirov, Ekaterina Gordeeva, Serge S. Tratch

J. Chem. Inf. Comput. Sci., 1988