default search action
Google
Google Scholar
Semantic Scholar
Internet Archive Scholar
CiteSeerX
ORCIDNikolai S. Zefirov
Person information
Refine list
refinements active!
zoomed in on ?? of ?? records
view refined list in
export refined list as
2010 – 2019
- 2014
[j33]Sergey B. Sosnin, Vladimir A. Palyulin, Nikolai S. Zefirov:
A new software for fragment-based QSAR and its applications. J. Cheminformatics 6(S-1): 11 (2014)- 2012
- [j32]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): 29 (2012) - 2011
- [j31]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): 17 (2011) - 2010
- [j30]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): 49 (2010)
2000 – 2009
- 2009
- [j29]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): 634-646 (2009) - [p1]Igor I. Baskin, Vladimir A. Palyulin, Nikolai S. Zefirov:
Neural Networks in Building QSAR Models. Artificial Neural Networks 2009: 133-154 - 2008
- [j28]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): 1332-1343 (2008) - 2007
- [j27]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): 2077-2088 (2007) - 2005
- [j26]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): 453-463 (2005) - 2004
- [j25]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): 1042-1055 (2004) - 2002
- [j24]Nikolai S. Zefirov, Vladimir A. Palyulin:
Fragmental Approach in QSPR. J. Chem. Inf. Comput. Sci. 42(5): 1112-1122 (2002) - 2001
- [j23]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): 1022-1027 (2001) - 2000
- [j22]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): 659-667 (2000)
1990 – 1999
- 1998
- [j21]Marina S. Molchanova, Nikolai S. Zefirov:
Irredundant Generation of Isomeric Molecular Structures with Some Known Fragments. J. Chem. Inf. Comput. Sci. 38(1): 8-22 (1998) - [j20]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): 331-348 (1998) - [j19]Serge S. Tratch, Nikolai S. Zefirov:
A Hierarchical Classification Scheme for Chemical Reactions. J. Chem. Inf. Comput. Sci. 38(3): 349-366 (1998) - [j18]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): 785-790 (1998) - 1997
- [j17]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): 715-721 (1997) - [j16]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): 766-773 (1997) - [j15]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): 900-912 (1997) - 1996
- [j14]Mikhail E. Muzychuk, Mikhail H. Klin, Nikolai S. Zefirov:
on the Mathematical Model of Triangulanes. Discret. Appl. Math. 67(1-3): 175-187 (1996) - [j13]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): 409-412 (1996) - [j12]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): 448-464 (1996) - [j11]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): 888-899 (1996) - 1995
- [j10]Vladimir V. Shcherbukhin, Nikolai S. Zefirov:
Investigation of Carbocationic Rearrangements by the ICAR Program. J. Chem. Inf. Comput. Sci. 35(1): 159-164 (1995) - [j9]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): 405-411 (1995) - [j8]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): 527-531 (1995) - 1994
- [j7]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): 994-999 (1994) - [j6]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): 1105-1108 (1994) - 1993
- [j5]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): 102-111 (1993) - [j4]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): 630-634 (1993) - 1992
- [j3]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): 130-139 (1992) - [j2]Dmitry E. Lushnikov, Nikolai S. Zefirov:
Fragmentations and the "feeling of goal" in computer-assisted synthesis. J. Chem. Inf. Comput. Sci. 32(4): 317-322 (1992)
1980 – 1989
- 1988
- [j1]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): 188-193 (1988)
Coauthor Index
manage site settings
To protect your privacy, all features that rely on external API calls from your browser are turned off by default. You need to opt-in for them to become active. All settings here will be stored as cookies with your web browser. For more information see our F.A.Q.
Unpaywalled article links
Add open access links from 
to the list of external document links (if available).
Privacy notice: By enabling the option above, your browser will contact the API of unpaywall.org to load hyperlinks to open access articles. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Unpaywall privacy policy.
Archived links via Wayback Machine
For web page which are no longer available, try to retrieve content from the 
of the Internet Archive (if available).
Privacy notice: By enabling the option above, your browser will contact the API of archive.org to check for archived content of web pages that are no longer available. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Internet Archive privacy policy.
Reference lists
Add a list of references from 
, 
, and 
to record detail pages.
load references from crossref.org and opencitations.net
Privacy notice: By enabling the option above, your browser will contact the APIs of crossref.org, opencitations.net, and semanticscholar.org to load article reference information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Crossref privacy policy and the OpenCitations privacy policy, as well as the AI2 Privacy Policy covering Semantic Scholar.
Citation data
Add a list of citing articles from and to record detail pages.
load citations from opencitations.net
Privacy notice: By enabling the option above, your browser will contact the API of opencitations.net and semanticscholar.org to load citation information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the OpenCitations privacy policy as well as the AI2 Privacy Policy covering Semantic Scholar.
OpenAlex data
Load additional information about publications from 
.
Privacy notice: By enabling the option above, your browser will contact the API of openalex.org to load additional information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the information given by OpenAlex.
last updated on 2024-04-24 23:02 CEST by the dblp team
all metadata released as open data under CC0 1.0 license
see also: Terms of Use | Privacy Policy | Imprint
dblp was originally created in 1993 at:
since 2018, dblp has been operated and maintained by:
the dblp computer science bibliography is funded and supported by:
