N. I. Zhokhova

发表

QSAR Modeling in Material Design

Igor I. Baskin, N. I. Zhokhova, 2015 .

Method of continuous molecular fields in the search for quantitative structure-activity relationships

Igor I. Baskin, Vladimir A. Palyulin, N. I. Zhokhova, 2009 .

Multilevel approach to the prediction of properties of organic compounds in the framework of the QSAR/QSPR methodology

Igor I. Baskin, Vladimir A. Palyulin, N. I. Zhokhova, 2009 .

Method of continuous molecular fields in the one-class classification task

Igor I. Baskin, N. I. Zhokhova, Nikolai S. Zefirov, 2011 .

Additive inductive learning in QSAR/QSPR studies and molecular modeling

Igor I. Baskin, Vladimir A. Palyulin, N. I. Zhokhova, 2009 .

A Study of the Affinity of Dyes for Cellulose Fiber within the Framework of a Fragment Approach in QSPR

Igor I. Baskin, Vladimir A. Palyulin, N. I. Zhokhova, 2005 .

Fragment descriptors in QSPR: Application to magnetic susceptibility calculations

Igor I. Baskin, Vladimir A. Palyulin, N. I. Zhokhova, 2004 .

Fragmental descriptors with labeled atoms and their application in QSAR/QSPR studies

Igor I. Baskin, Vladimir A. Palyulin, N. I. Zhokhova, 2007 .

Fragmental descriptors in QSPR: flash point calculations

Igor I. Baskin, Vladimir A. Palyulin, N. I. Zhokhova, 2003 .

Fragmental descriptors in (Q)SAR: prediction of the assignment of organic compounds to pharmacological groups using the support vector machine approach

Igor I. Baskin, Vladimir A. Palyulin, N. I. Zhokhova, 2009 .

Predictive Models for HOMO and LUMO Energies of N‐Donor Heterocycles as Ligands for Lanthanides Separation

N. I. Zhokhova, V. Solov'ev, Yu. A. Ustynyuk, 2018, Molecular informatics.

Continuous molecular fields and the concept of molecular co-fields in structure-activity studies.

N. I. Zhokhova, I. Baskin, 2019, Future medicinal chemistry.

Continuous Molecular Fields Approach Applied to Structure-Activity Modeling

N. I. Zhokhova, I. Baskin, 2013, 1311.1495.

Pseudofragmental descriptors based on combinations of atomic properties for prediction of physical properties of polymers in quantitative structure—property relationship studies

N. I. Zhokhova, N. Zefirov, I. Baskin, 2010 .

Continuous indicator fields: a novel universal type of molecular fields

Igor I. Baskin, Alexandre Varnek, Nelly I. Zhokhova, 2015, Journal of Computer-Aided Molecular Design.

The continuous molecular fields approach to building 3D-QSAR models

Igor I. Baskin, Nelly I. Zhokhova, N. I. Zhokhova, 2013, Journal of Computer-Aided Molecular Design.

Hydration of the pertechnetate anion. DFT study

N. I. Zhokhova, Y. Ustynyuk, I. Gloriozov, 2021, Journal of Molecular Liquids.

Competing Routes in the Extraction of Lanthanide Nitrates by 1,10-Phenanthroline-2,9-diamides: An Impact of Structure of Complexes on the Extraction

N. I. Zhokhova, V. Nenajdenko, Y. Ustynyuk, 2022, International journal of molecular sciences.

Structure of lanthanide nitrates in solution and in the solid state: DFT modelling of hydration effects

N. I. Zhokhova, Y. Ustynyuk, I. Gloriozov, 2020 .

New benzo[f]quinolino[3,4-b][1,7]naphthyridine-6,8(5H,9H)-diones: synthesis, electronic, molecular, and crystal structures. Protonation and complexation with lanthanum and europium salts

N. I. Zhokhova, Y. Ustynyuk, I. Gloriozov, 2018, Russian Chemical Bulletin.