| 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 | 51 | 2007 |
| Fragmental descriptors in QSPR: flash point calculations NI Zhokhova, II Baskin, VA Palyulin, AN Zefirov, NS Zefirov Russian Chemical Bulletin 52, 1885-1892, 2003 | 41 | 2003 |
| The continuous molecular fields approach to building 3D-QSAR models II Baskin, NI Zhokhova Journal of computer-aided molecular design 27, 427-442, 2013 | 19 | 2013 |
| 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 | 19 | 2003 |
| 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 | 15 | 2009 |
| 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 | 13 | 2009 |
| 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 | 13 | 2004 |
| 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 | 12 | 2022 |
| 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 | 12 | 2003 |
| Recent progress in separation of technetium-99 from spent nuclear fuel and radioactive waste. Challenges and prospects YA Ustynyuk, NI Zhokhova, ZA Sizova, VG Nenajdenko Coordination Chemistry Reviews 508, 215759, 2024 | 10 | 2024 |
| 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 | 10 | 2021 |
| 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 | 10 | 2005 |
| 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 | 10 | 1995 |
| 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 | 9 | 2011 |
| 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 | 9 | 2007 |
| 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 | 8 | 2018 |
| 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 | 8 | 2011 |
| 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 | 6 | 2015 |
| 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 | 5 | 2019 |
| 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 | 5 | 2009 |
Igor I. BaskinDepartment of Materials Science and Engineering, Technion - Israel Institute of TechnologyVerified email at technion.ac.il
