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Sergey V. Trepalin
Observed names:
S. V. Trepalin,
S.V. Trepalin,
Sergey Trepalin,
С. В. Трепалин,
С.В. Трепалин
Institution:
Kintech Lab (Russia)
Observed institutions:
Russian Academy of Sciences,
Bauman Moscow State Technical University,
All Russian Institute for Scientific and Technical Information,
Kintech Lab (Russia),
Institute of Chemistry,
Institute of Physiologically Active Compounds,
Academy of Sciences of the Soviet Union
show all 7
ORCID:
0000-0001-5679-3028
Observed ORCID:
0000-0001-5679-3028
OpenAlex ID:
A5085614964
SLIPPER-2001 − Software for Predicting Molecular Properties on the Basis of Physicochemical Descriptors and Structural Similarity
2002
·
Oleg A. Raevsky
, Sergey V. Trepalin
, et al.
·
Journal of Chemical Information and Computer Sciences
·
59
Synthesis of bis(trifluoromethyl)pyrimido[4,5-d]pyrimidine-2,4-diones and evaluation of their antibacterial and antifungal activities
2016
·
Alexey Yu. Aksinenko
, Tatyana V. Goreva
, et al.
·
Journal of Fluorine Chemistry
·
23
Advanced Exact Structure Searching in Large Databases of Chemical Compounds
2003
·
Sergey V. Trepalin
, Andrey V. Skorenko
, et al.
·
Journal of Chemical Information and Computer Sciences
·
22
MULTICOMP package for multilevel simulation of polymer nanocomposites
2022
·
Mikhail A. Akhukov
, Vassily A. Chorkov
, et al.
·
Computational Materials Science
·
16
Gas Barrier Properties of Multilayer Polymer–Clay Nanocomposite Films: A Multiscale Simulation Approach
2023
·
Andrey Knizhnik
, Pavel Komarov
, et al.
·
Minerals
·
7
PDF
Carbamoyl imines of methyl trifluoropyruvate in cyclocondensation and cycloaddition reactions
2017
·
Alexey Yu. Aksinenko
, Tatyana V. Goreva
, et al.
·
Journal of Fluorine Chemistry
·
6
The centroidal algorithm in molecular similarity and diversity calculations on confidential datasets
2005
·
Sergey Trepalin
, Nikolay Osadchiy
·
Journal of Computer-Aided Molecular Design
·
6
SLIPPER — A New Program for Water Solubility, Lipophilicity and Permeability Prediction
2000
·
O. A. Raevsky
, E. P. Trepalina
, et al.
·
Springer eBooks
·
6
New QSAR Descriptors Calculated from Interatomic Interaction Spectra
2000
·
O. A. Raevskii
, S. V. Trepalin
, et al.
·
Pharmaceutical Chemistry Journal
·
5
Vibrational spectra and normal coordinate analysis of 4,13-diaza-18-crown-6-calcium chloride and bromide complexes
1999
·
S.V. Trepalin
, A.V. Yarkov
, et al.
·
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy
·
5
New Polymers In Silico Generation and Properties Prediction
2023
·
Andrey A. Knizhnik
, Pavel V. Komarov
, et al.
·
Nanomanufacturing
·
3
PDF
The Structural Chemical Database of the All-Russian Institute for Scientific and Technical Information, Russian Academy of Sciences. An Autonomous System for Structural Searches
2018
·
S. V. Trepalin
, Yu. E. Bessonov
, et al.
·
Automatic Documentation and Mathematical Linguistics
·
2
The development of an integrated system for structural chemical information
2015
·
O. M. Nefedov
, L. M. Koroleva
, et al.
·
Automatic Documentation and Mathematical Linguistics
·
2
Glossary as an element of data input standardization in the CBASE32 program complex
2007
·
N. I. Voronezheva
, S. V. Trepalin
, et al.
·
Automatic Documentation and Mathematical Linguistics
·
2
Slipper: A new program for calculating solubility, lipophilicity, and liposome penetrability
2000
·
O. A. Raevskii
, E. P. Trepalina
, et al.
·
Pharmaceutical Chemistry Journal
·
2
Vibrational spectra and conformational equilibrium of 1,1-dichloro-1-nitrosoethane and its deuterium analog
1989
·
S. V. Trepalin
, A. V. Yarkov
, et al.
·
Russian Chemical Bulletin
·
2
IR-spectroscopic investigation of the calcium complexes with 18-crown-6 and 15-crown-5
1987
·
О. А. Раевский
, С. В. Трепалин
, et al.
·
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
·
2
Comparison of PubChem Compound and Aurora Fine Chemical Large-Scale Chemistry Databases
2025
·
Sergey Trepalin
, Pavel Komarov
, et al.
·
ChemRxiv
·
1
Using the MULTICOMP Package to Predict the Properties of Polymer-Based Materials
2025
·
Andrey Kniznik
, Alexander Sinitsa
, et al.
·
Lecture notes in computer science
·
1
On evaluating the possibility of synthesizing virtually designed polymers
2024
·
Sergey V. Trepalin
, Pavel V. Komarov
, et al.
·
Mendeleev Communications
·
1
Data on generation of Kekulé structures for graphenes, graphynes, nanotubes and fullerenes and their aza-analogs
2018
·
Sergey Trepalin
, Sasha Gurke
, et al.
·
Data in Brief
·
1
PDF
A fast approximate algorithm for determining bond orders in large polycyclic structures
2018
·
Sergey Trepalin
, Sasha Gurke
, et al.
·
Journal of Molecular Graphics and Modelling
·
1
MOLTRA-II. New three dimensional descriptors of the hydrogen bond
2018
·
S.V. Trepalin
, A.V. Yarkov
, et al.
·
Biomedical Chemistry Research and Methods
·
1
Computer Calculation of Drug Penetration Through the Blood–Brain Barrier
2014
·
O. A. Raevsky
, S. V. Trepalin
, et al.
·
Pharmaceutical Chemistry Journal
·
1
Software Package for Computer-Aided Design of Effective Physiologically Active Compounds, Based on Two-Dimensional and Three-Dimensional Physicochemical Descriptors
2000
·
S. V. Trepalin
, A. N. Razdol'skii
, et al.
·
Pharmaceutical Chemistry Journal
·
1
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Works count:
46
Citation count:
181
H-index:
6
I10-index:
4
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