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Nikolai S. Zefirov Vis

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*2008
26EEOlexander 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. Journal of Computational Chemistry 29(8): 1332-1343 (2008)
2004
25EEAlexander 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. Journal of Chemical Information and Modeling 44(3): 1042-1055 (2004)
2002
24EENikolai S. Zefirov, Vladimir A. Palyulin: Fragmental Approach in QSPR. Journal of Chemical Information and Computer Sciences 42(5): 1112-1122 (2002)
2001
23EENikolai 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? Journal of Chemical Information and Computer Sciences 41(4): 1022-1027 (2001)
2000
22EEVladimir A. Palyulin, Eugene V. Radchenko, Nikolai S. Zefirov: Molecular Field Topology Analysis Method in QSAR Studies of Organic Compounds. Journal of Chemical Information and Computer Sciences 40(3): 659-667 (2000)
1998
21EEMarina S. Molchanova, Nikolai S. Zefirov: Irredundant Generation of Isomeric Molecular Structures with Some Known Fragments. Journal of Chemical Information and Computer Sciences 38(1): 8-22 (1998)
20EESerge S. Tratch, Nikolai S. Zefirov: Systematic Search for New Types of Chemical Interconversions: Mathematical Models and Some Applications. Journal of Chemical Information and Computer Sciences 38(3): 331-348 (1998)
19EESerge S. Tratch, Nikolai S. Zefirov: A Hierarchical Classification Scheme for Chemical Reactions. Journal of Chemical Information and Computer Sciences 38(3): 349-366 (1998)
18EEMariya 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. Journal of Chemical Information and Computer Sciences 38(5): 785-790 (1998)
1997
17EEIgor I. Baskin, Vladimir A. Palyulin, Nikolai S. Zefirov: A Neural Device for Searching Direct Correlations between Structures and Properties of Chemical Compounds. Journal of Chemical Information and Computer Sciences 37(4): 715-721 (1997)
16EEAlexander Yu. Zotov, Vladimir A. Palyulin, Nikolai S. Zefirov: RICON-The Computer Program for the Quantitative Investigations of Cyclic Organic Molecule Conformations. Journal of Chemical Information and Computer Sciences 37(4): 766-773 (1997)
15EENikolai S. Zefirov, Serge S. Tratch: Some Notes on Randic-Razinger's Approach to Characterization of Molecular Shapes. Journal of Chemical Information and Computer Sciences 37(5): 900-912 (1997)
1996
14EEMikhail E. Muzychuk, Mikhail H. Klin, Nikolai S. Zefirov: on the Mathematical Model of Triangulanes. Discrete Applied Mathematics 67(1-3): 175-187 (1996)
13EESergey 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. Journal of Chemical Information and Computer Sciences 36(3): 409-412 (1996)
12EESerge S. Tratch, Nikolai S. Zefirov: Algebraic Chirality Criteria and Their Application to Chirality Classification in Rigid Molecular Systems. Journal of Chemical Information and Computer Sciences 36(3): 448-464 (1996)
11EEMarina S. Molchanova, Vladimir V. Shcherbukhin, Nikolai S. Zefirov: Computer Generation of Molecular Structures by the SMOG Program. Journal of Chemical Information and Computer Sciences 36(4): 888-899 (1996)
1995
10 Vladimir V. Shcherbukhin, Nikolai S. Zefirov: Investigation of Carbocationic Rearrangements by the ICAR Program. Journal of Chemical Information and Computer Sciences 35(1): 159-164 (1995)
9 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. Journal of Chemical Information and Computer Sciences 35(3): 405-411 (1995)
8 Igor I. Baskin, Mariya I. Skvortsova, Ivan V. Stankevich, Nikolai S. Zefirov: On the Basis of Invariants of Labeled Molecular Graphs. Journal of Chemical Information and Computer Sciences 35(3): 527-531 (1995)
1994
7EENikolai S. Zefirov, Igor I. Baskin, Vladimir A. Palyulin: SYMBEQ Program and Its Application in Computer-Assisted Reaction Design. Journal of Chemical Information and Computer Sciences 34(4): 994-999 (1994)
6EEIvan 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. Journal of Chemical Information and Computer Sciences 34(5): 1105-1108 (1994)
1993
5EEEkaterina Gordeeva, Alan R. Katritzky, Vladimir V. Shcherbukhin, Nikolai S. Zefirov: Rapid conversion of molecular graphs to three-dimensional representation using the MOLGEO program. Journal of Chemical Information and Computer Sciences 33(1): 102-111 (1993)
4EEMariya 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). Journal of Chemical Information and Computer Sciences 33(4): 630-634 (1993)
1992
3EESerge 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. Journal of Chemical Information and Computer Sciences 32(2): 130-139 (1992)
2EEDmitry E. Lushnikov, Nikolai S. Zefirov: Fragmentations and the "feeling of goal" in computer-assisted synthesis. Journal of Chemical Information and Computer Sciences 32(4): 317-322 (1992)
1988
1EENikolai 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. Journal of Chemical Information and Computer Sciences 28(4): 188-193 (1988)

Coauthor Index

1Igor I. Baskin [4] [6] [7] [8] [17] [18]
2Volodymyr G. Bdzhola [26]
3Anatolii L. Chistyakov [6]
4Ludmila M. Dolmatova [9]
5Simon A. E. Finch [9]
6Elena G. Gal'pern [6]
7Ekaterina Gordeeva [1] [5]
8Jonathan G. Huddleston [25]
9Alan R. Katritzky [5] [25]
10Mikhail H. Klin [14]
11O. A. Lomova [3]
12Dmitry E. Lushnikov [2]
13Marina S. Molchanova [11] [21]
14Mikhail E. Muzychuk [14]
15Alexander A. Oliferenko [25] [26]
16Polina V. Oliferenko [25]
17Vladimir A. Palyulin [3] [4] [7] [16] [17] [18] [22] [23] [24] [25] [26]
18Eugene V. Radchenko [22]
19Robin D. Rogers [25]
20Vladimir V. Shcherbukhin [5] [10] [11]
21Sergey A. Shpilkin [13]
22Mariya I. Skvortsova [4] [6] [8] [18]
23Olga L. Slovokhotova [4]
24Evgenii A. Smolenskii [13]
25Ivan V. Stankevich [6] [8] [18]
26D. V. Sukhachev [3]
27Oleg B. Tomilin [6]
28Serge S. Tratch [1] [3] [12] [15] [19] [20]
29Sergei V. Trepalin [9]
30Olexander Yakovenko [26]
31Alexander V. Yarkov [9]
32Alexander Yu. Zotov [16]

Colors in the list of coauthors

Copyright © Tue Nov 3 08:52:44 2009 by Michael Ley (ley@uni-trier.de)