QSPR ANALYSIS OF TEMPERATURE RELATED AQUEOUS SOLUBILITY OF ORGANIC COMPOUNDS
2D-QSPR models were developed in order to predict aqueous solubility of organic compounds at different temperatures. Impact of various structure features was analyzed and benzene residues contribution to solubility was defined. A reliable model which allows to assess temperature influence on forming...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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Odessa I. I. Mechnikov National University
2014-12-01
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| Series: | Vìsnik Odesʹkogo Nacìonalʹnogo Unìversitetu: Hìmìâ |
| Subjects: | |
| Online Access: | http://heraldchem.onu.edu.ua/article/view/31983 |
| _version_ | 1828269516365234176 |
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| author | K. A. Klimenko L. N. Ognichenko V. E. Kuz’min A. G. Artemenko L. G. Gorb |
| author_facet | K. A. Klimenko L. N. Ognichenko V. E. Kuz’min A. G. Artemenko L. G. Gorb |
| author_sort | K. A. Klimenko |
| collection | DOAJ |
| description | 2D-QSPR models were developed in order to predict aqueous solubility of organic
compounds at different temperatures. Impact of various structure features was analyzed and benzene residues contribution to solubility was defined. A reliable model which allows to assess temperature influence on forming compounds solubility was developed. |
| first_indexed | 2024-04-13T05:31:07Z |
| format | Article |
| id | doaj.art-50643a2ec3b2405e91f97abdf77cbde8 |
| institution | Directory Open Access Journal |
| issn | 2304-0947 2414-5963 |
| language | English |
| last_indexed | 2024-04-13T05:31:07Z |
| publishDate | 2014-12-01 |
| publisher | Odessa I. I. Mechnikov National University |
| record_format | Article |
| series | Vìsnik Odesʹkogo Nacìonalʹnogo Unìversitetu: Hìmìâ |
| spelling | doaj.art-50643a2ec3b2405e91f97abdf77cbde82022-12-22T03:00:25ZengOdessa I. I. Mechnikov National UniversityVìsnik Odesʹkogo Nacìonalʹnogo Unìversitetu: Hìmìâ2304-09472414-59632014-12-01172(42)324110.18524/2304-0947.2012.2(42).3198331983QSPR ANALYSIS OF TEMPERATURE RELATED AQUEOUS SOLUBILITY OF ORGANIC COMPOUNDSK. A. Klimenko0L. N. Ognichenko1V. E. Kuz’min2A. G. Artemenko3L. G. Gorb4Одеський національний університет імені І. І. МечниковаФізико-хімічний інститут імені О. В. Богатського НАН УкраїниОдеський національний університет імені І. І. Мечникова; Фізико-хімічний інститут імені О. В. Богатського НАН УкраїниФізико-хімічний інститут імені О. В. Богатського НАН УкраїниІнститут молекулярної біології та генетики НАН України2D-QSPR models were developed in order to predict aqueous solubility of organic compounds at different temperatures. Impact of various structure features was analyzed and benzene residues contribution to solubility was defined. A reliable model which allows to assess temperature influence on forming compounds solubility was developed.http://heraldchem.onu.edu.ua/article/view/31983водна розчинністьмолекулярні симплексиQSPRтемпературна залежність розчинності |
| spellingShingle | K. A. Klimenko L. N. Ognichenko V. E. Kuz’min A. G. Artemenko L. G. Gorb QSPR ANALYSIS OF TEMPERATURE RELATED AQUEOUS SOLUBILITY OF ORGANIC COMPOUNDS Vìsnik Odesʹkogo Nacìonalʹnogo Unìversitetu: Hìmìâ водна розчинність молекулярні симплекси QSPR температурна залежність розчинності |
| title | QSPR ANALYSIS OF TEMPERATURE RELATED AQUEOUS SOLUBILITY OF ORGANIC COMPOUNDS |
| title_full | QSPR ANALYSIS OF TEMPERATURE RELATED AQUEOUS SOLUBILITY OF ORGANIC COMPOUNDS |
| title_fullStr | QSPR ANALYSIS OF TEMPERATURE RELATED AQUEOUS SOLUBILITY OF ORGANIC COMPOUNDS |
| title_full_unstemmed | QSPR ANALYSIS OF TEMPERATURE RELATED AQUEOUS SOLUBILITY OF ORGANIC COMPOUNDS |
| title_short | QSPR ANALYSIS OF TEMPERATURE RELATED AQUEOUS SOLUBILITY OF ORGANIC COMPOUNDS |
| title_sort | qspr analysis of temperature related aqueous solubility of organic compounds |
| topic | водна розчинність молекулярні симплекси QSPR температурна залежність розчинності |
| url | http://heraldchem.onu.edu.ua/article/view/31983 |
| work_keys_str_mv | AT kaklimenko qspranalysisoftemperaturerelatedaqueoussolubilityoforganiccompounds AT lnognichenko qspranalysisoftemperaturerelatedaqueoussolubilityoforganiccompounds AT vekuzmin qspranalysisoftemperaturerelatedaqueoussolubilityoforganiccompounds AT agartemenko qspranalysisoftemperaturerelatedaqueoussolubilityoforganiccompounds AT lggorb qspranalysisoftemperaturerelatedaqueoussolubilityoforganiccompounds |