Modeling the relationship between the structure and melting point of pyrazolone derivatives: topological approach
In the framework of the statistical approach the non-linear «structure - melting point» model for pyrazolone derivatives is constructed. Number of topological parameters calculated from the structural formula was used for the quantitative description of the molecular structure. The results of calcul...
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| Format: | Article |
| Language: | Russian |
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MIREA - Russian Technological University
2009-12-01
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| Series: | Тонкие химические технологии |
| Subjects: | |
| Online Access: | https://www.finechem-mirea.ru/jour/article/view/1047 |
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| _version_ | 1849684907269292032 |
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| author | M. I. Skvortsova N. S. Rukk |
| author_facet | M. I. Skvortsova N. S. Rukk |
| author_sort | M. I. Skvortsova |
| collection | DOAJ |
| description | In the framework of the statistical approach the non-linear «structure - melting point» model for pyrazolone derivatives is constructed. Number of topological parameters calculated from the structural formula was used for the quantitative description of the molecular structure. The results of calculation of the melting points for a series of compounds of considered class are reported. |
| format | Article |
| id | doaj-art-7a04d0dde79947edae078713f397f32f |
| institution | DOAJ |
| issn | 2410-6593 2686-7575 |
| language | Russian |
| publishDate | 2009-12-01 |
| publisher | MIREA - Russian Technological University |
| record_format | Article |
| series | Тонкие химические технологии |
| spelling | doaj-art-7a04d0dde79947edae078713f397f32f2025-08-20T03:23:19ZrusMIREA - Russian Technological UniversityТонкие химические технологии2410-65932686-75752009-12-01461101131041Modeling the relationship between the structure and melting point of pyrazolone derivatives: topological approachM. I. Skvortsova0N. S. Rukk1Moscow Technological University (Institute of Fine Chemical Technologies), 86, Vernadskogo pr., Moscow 119571Moscow Technological University (Institute of Fine Chemical Technologies), 86, Vernadskogo pr., Moscow 119571In the framework of the statistical approach the non-linear «structure - melting point» model for pyrazolone derivatives is constructed. Number of topological parameters calculated from the structural formula was used for the quantitative description of the molecular structure. The results of calculation of the melting points for a series of compounds of considered class are reported.https://www.finechem-mirea.ru/jour/article/view/1047melting point, «structure – property» model, pyrazolone derivatives |
| spellingShingle | M. I. Skvortsova N. S. Rukk Modeling the relationship between the structure and melting point of pyrazolone derivatives: topological approach Тонкие химические технологии melting point, «structure – property» model, pyrazolone derivatives |
| title | Modeling the relationship between the structure and melting point of pyrazolone derivatives: topological approach |
| title_full | Modeling the relationship between the structure and melting point of pyrazolone derivatives: topological approach |
| title_fullStr | Modeling the relationship between the structure and melting point of pyrazolone derivatives: topological approach |
| title_full_unstemmed | Modeling the relationship between the structure and melting point of pyrazolone derivatives: topological approach |
| title_short | Modeling the relationship between the structure and melting point of pyrazolone derivatives: topological approach |
| title_sort | modeling the relationship between the structure and melting point of pyrazolone derivatives topological approach |
| topic | melting point, «structure – property» model, pyrazolone derivatives |
| url | https://www.finechem-mirea.ru/jour/article/view/1047 |
| work_keys_str_mv | AT miskvortsova modelingtherelationshipbetweenthestructureandmeltingpointofpyrazolonederivativestopologicalapproach AT nsrukk modelingtherelationshipbetweenthestructureandmeltingpointofpyrazolonederivativestopologicalapproach |