Molecular Complexity for Chemical Reactions
A new method is presented on how to calculate molecular complexity for chemical reactions by the fractal dimension of educts and products. Two pathways for the total synthesis of strychnine were compared. Significant differences in the two synthesis pathways were reflected by reaction complexity. T...
| Main Authors: | , |
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| Format: | Article |
| Language: | deu |
| Published: |
Swiss Chemical Society
2023-04-01
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| Series: | CHIMIA |
| Subjects: | |
| Online Access: | https://www.chimia.ch/chimia/article/view/6947 |
| _version_ | 1797826492187541504 |
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| author | Modest von Korff Thomas Sander |
| author_facet | Modest von Korff Thomas Sander |
| author_sort | Modest von Korff |
| collection | DOAJ |
| description |
A new method is presented on how to calculate molecular complexity for chemical reactions by the fractal dimension of educts and products. Two pathways for the total synthesis of strychnine were compared. Significant differences in the two synthesis pathways were reflected by reaction complexity. These results demonstrate that reaction complexity is a powerful measure to group chemical reactions beyond substructural changes.
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| first_indexed | 2024-04-09T12:33:32Z |
| format | Article |
| id | doaj.art-81f51b8035e24072981772947d988b24 |
| institution | Directory Open Access Journal |
| issn | 0009-4293 2673-2424 |
| language | deu |
| last_indexed | 2024-04-09T12:33:32Z |
| publishDate | 2023-04-01 |
| publisher | Swiss Chemical Society |
| record_format | Article |
| series | CHIMIA |
| spelling | doaj.art-81f51b8035e24072981772947d988b242023-05-16T00:10:58ZdeuSwiss Chemical SocietyCHIMIA0009-42932673-24242023-04-0177410.2533/chimia.2023.258Molecular Complexity for Chemical ReactionsModest von Korff0Thomas Sander1Idorsia Pharmaceuticals Ltd, CH-4123 AllschwilIdorsia Pharmaceuticals Ltd, CH-4123 Allschwil A new method is presented on how to calculate molecular complexity for chemical reactions by the fractal dimension of educts and products. Two pathways for the total synthesis of strychnine were compared. Significant differences in the two synthesis pathways were reflected by reaction complexity. These results demonstrate that reaction complexity is a powerful measure to group chemical reactions beyond substructural changes. https://www.chimia.ch/chimia/article/view/6947Molecular complexityNatural product synthesisReactionsStrychnine |
| spellingShingle | Modest von Korff Thomas Sander Molecular Complexity for Chemical Reactions CHIMIA Molecular complexity Natural product synthesis Reactions Strychnine |
| title | Molecular Complexity for Chemical Reactions |
| title_full | Molecular Complexity for Chemical Reactions |
| title_fullStr | Molecular Complexity for Chemical Reactions |
| title_full_unstemmed | Molecular Complexity for Chemical Reactions |
| title_short | Molecular Complexity for Chemical Reactions |
| title_sort | molecular complexity for chemical reactions |
| topic | Molecular complexity Natural product synthesis Reactions Strychnine |
| url | https://www.chimia.ch/chimia/article/view/6947 |
| work_keys_str_mv | AT modestvonkorff molecularcomplexityforchemicalreactions AT thomassander molecularcomplexityforchemicalreactions |