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zhokhova Nelly
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Year
Fragmental descriptors with labeled atoms and their application in QSAR/QSPR studies
NI Zhokhova, II Baskin, VA Palyulin, AN Zefirov, NS Zefirov
Doklady Chemistry 417, 282-284, 2007
532007
Fragmental descriptors in QSPR: flash point calculations
NI Zhokhova, II Baskin, VA Palyulin, AN Zefirov, NS Zefirov
Russian Chemical Bulletin 52, 1885-1892, 2003
402003
Fragmental descriptors in QSPR: application to molecular polarizability calculations
NI Zhokhova, II Baskin, VA Palyulin, AN Zefirov, NS Zefirov
Russian chemical bulletin 52, 1061-1065, 2003
202003
The continuous molecular fields approach to building 3D-QSAR models
II Baskin, NI Zhokhova
Journal of computer-aided molecular design 27, 427-442, 2013
192013
Method of continuous molecular fields in the search for quantitative structure-activity relationships
NI Zhokhova, II Baskin, DK Bakhronov, VA Palyulin, NS Zefirov
Doklady Chemistry 429, 273-276, 2009
162009
Multilevel approach to the prediction of properties of organic compounds in the framework of the QSAR/QSPR methodology
II Baskin, NI Zhokhova, VA Palyulin, AN Zefirov, NS Zefirov
Doklady Chemistry 427, 172-175, 2009
132009
Fragment descriptors in QSPR: Application to magnetic susceptibility calculations
NI Zhokhova, II Baskin, VA Palyulin, AN Zefirov, NS Zefirov
Journal of Structural Chemistry 45, 626-635, 2004
132004
Calculation of the enthalpy of sublimation by the QSPR method with the use of a fragment approach
NI Zhokhova, II Baskin, VA Palyulin, AN Zefirov, NS Zefirov
Russian journal of applied chemistry 76, 1914-1919, 2003
122003
A Study of the Affinity of Dyes for Cellulose Fiber within the Framework of a Fragment Approach in QSPR
NI Zhokhova, II Baskin, VA Palyulin, AN Zefirov, NS Zefirov
Russian journal of applied chemistry 78, 1013-1017, 2005
102005
QSPR Approach to Calculating the Rate Constants of Homolysis of Nitro Compounds in Different Aggregation States. 1
DV Sukhachev, TS Pivina, NI Zhokhova, NS Zefirov, S Zeman
Gas State. IzV. Akad. Nauk SSSR (Bull. Acad. Sci. USSR), 1653-1656, 1995
101995
Competing Routes in the Extraction of Lanthanide Nitrates by 1, 10-Phenanthroline-2, 9-diamides: An Impact of Structure of Complexes on the Extraction
YA Ustynyuk, NI Zhokhova, IP Gloriozov, PI Matveev, MV Evsiunina, ...
International Journal of Molecular Sciences 23 (24), 15538, 2022
92022
One-class approach: models for virtual screening of non-nucleoside HIV-1 reverse transcriptase inhibitors based on the concept of continuous molecular fields
PV Karpov, II Baskin, NI Zhokhova, MB Nawrozkij, AN Zefirov, ...
Russian Chemical Bulletin 60, 2418-2424, 2011
92011
Fragment descriptors in the QSPR method: Their use for calculating the enthalpies of vaporization of organic substances
NI Zhokhova, VA Palyulin, II Baskin, AN Zefirov, NS Zefirov
Russian Journal of Physical Chemistry 81, 9-12, 2007
92007
Method of continuous molecular fields in the one-class classification task
PV Karpov, II Baskin, NI Zhokhova, NS Zefirov
Doklady Chemistry 440 (2), 263, 2011
82011
Structure of lanthanide nitrates in solution and in the solid state: DFT modelling of hydration effects
AV Yatsenko, IP Gloriozov, NI Zhokhova, KA Paseshnichenko, ...
Journal of Molecular Liquids 323, 115005, 2021
72021
Predictive Models for HOMO and LUMO Energies of N‐Donor Heterocycles as Ligands for Lanthanides Separation
VP Solov'ev, YA Ustynyuk, NI Zhokhova, KV Karpov
Molecular Informatics 37 (11), 1800025, 2018
72018
Continuous indicator fields: a novel universal type of molecular fields
GV Sitnikov, NI Zhokhova, YA Ustynyuk, A Varnek, II Baskin
Journal of computer-aided molecular design 29, 233-247, 2015
62015
Continuous molecular fields and the concept of molecular co-fields in structure–activity studies
II Baskin, NI Zhokhova
Future medicinal chemistry 11 (20), 2701-2713, 2019
52019
Fragmental descriptors in (Q) SAR: Prediction of the assignment of organic compounds to pharmacological groups using the support vector machine approach
EP Kondratovich, NI Zhokhova, II Baskin, VA Palyulin, NS Zefirov
Russian Chemical Bulletin 58, 657-662, 2009
52009
QSPR approach to the calculation of rate constants of homolysis of nitro compounds in different states of aggregation: 1. The gas phase
DV Sukhachev, TS Pivina, NI Zhokhova, NS Zefirov, S Zeman
Russian chemical bulletin 44, 1585-1588, 1995
51995
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