EFFICIENCY STUDY APPLICATION OF CIRCULAR MOLECULAR MODEL TO QSAR ANALYSIS
New method of structural descriptors generation for the solving of QSAR tasks has been developed by authors. It is shown that mentioned approach allows generation of the set of structural parameters with the quite adequate level of description of molecules and their properties. Efficiency of develop...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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Odessa I. I. Mechnikov National University
2016-04-01
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| Series: | Vìsnik Odesʹkogo Nacìonalʹnogo Unìversitetu: Hìmìâ |
| Subjects: | |
| Online Access: | http://heraldchem.onu.edu.ua/article/view/66926 |
| _version_ | 1818144895216386048 |
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| author | Victor E. Kuz’min Anatoly V. Liahovsky Anatoly G. Artemenko |
| author_facet | Victor E. Kuz’min Anatoly V. Liahovsky Anatoly G. Artemenko |
| author_sort | Victor E. Kuz’min |
| collection | DOAJ |
| description | New method of structural descriptors generation for the solving of QSAR tasks has been developed by authors. It is shown that mentioned approach allows generation of the set of structural parameters with the quite adequate level of description of molecules and their properties. Efficiency of developed approach was shown base on ACE ingibitors. |
| first_indexed | 2024-12-11T11:54:50Z |
| format | Article |
| id | doaj.art-0388ff238cf64b90842d59ab7590e08f |
| institution | Directory Open Access Journal |
| issn | 2304-0947 2414-5963 |
| language | English |
| last_indexed | 2024-12-11T11:54:50Z |
| publishDate | 2016-04-01 |
| publisher | Odessa I. I. Mechnikov National University |
| record_format | Article |
| series | Vìsnik Odesʹkogo Nacìonalʹnogo Unìversitetu: Hìmìâ |
| spelling | doaj.art-0388ff238cf64b90842d59ab7590e08f2022-12-22T01:08:14ZengOdessa I. I. Mechnikov National UniversityVìsnik Odesʹkogo Nacìonalʹnogo Unìversitetu: Hìmìâ2304-09472414-59632016-04-01141210811310.18524/2304-0947.2009.12.6692666926EFFICIENCY STUDY APPLICATION OF CIRCULAR MOLECULAR MODEL TO QSAR ANALYSISVictor E. Kuz’min0Anatoly V. Liahovsky1Anatoly G. Artemenko2Одеський національний університет імені І. І. Мечникова, кафедра органічної хімії; Фізико-хімічний інститут ім. О. В. Богатського НАН УкраїниФізико-хімічний інститут ім. О. В. Богатського НАН УкраїниФізико-хімічний інститут ім. О. В. Богатського НАН УкраїниNew method of structural descriptors generation for the solving of QSAR tasks has been developed by authors. It is shown that mentioned approach allows generation of the set of structural parameters with the quite adequate level of description of molecules and their properties. Efficiency of developed approach was shown base on ACE ingibitors.http://heraldchem.onu.edu.ua/article/view/66926QSAR, молекулярні дескриптори, граф, інформаційне поле, гармонічний аналіз |
| spellingShingle | Victor E. Kuz’min Anatoly V. Liahovsky Anatoly G. Artemenko EFFICIENCY STUDY APPLICATION OF CIRCULAR MOLECULAR MODEL TO QSAR ANALYSIS Vìsnik Odesʹkogo Nacìonalʹnogo Unìversitetu: Hìmìâ QSAR, молекулярні дескриптори, граф, інформаційне поле, гармонічний аналіз |
| title | EFFICIENCY STUDY APPLICATION OF CIRCULAR MOLECULAR MODEL TO QSAR ANALYSIS |
| title_full | EFFICIENCY STUDY APPLICATION OF CIRCULAR MOLECULAR MODEL TO QSAR ANALYSIS |
| title_fullStr | EFFICIENCY STUDY APPLICATION OF CIRCULAR MOLECULAR MODEL TO QSAR ANALYSIS |
| title_full_unstemmed | EFFICIENCY STUDY APPLICATION OF CIRCULAR MOLECULAR MODEL TO QSAR ANALYSIS |
| title_short | EFFICIENCY STUDY APPLICATION OF CIRCULAR MOLECULAR MODEL TO QSAR ANALYSIS |
| title_sort | efficiency study application of circular molecular model to qsar analysis |
| topic | QSAR, молекулярні дескриптори, граф, інформаційне поле, гармонічний аналіз |
| url | http://heraldchem.onu.edu.ua/article/view/66926 |
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