Approach to reproducing of missed data in learning samples for computer-aided inorganic compounds design
The article is devoted to questions of accumulated data usage to find out regularities by means of pattern recognition methods that allow predicting formation of not synthesized substances and estimating its properties. The formal task of computer-aided inorganic compounds design is stated. An appro...
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| Format: | Article |
| Language: | Russian |
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MIREA - Russian Technological University
2014-02-01
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| Series: | Тонкие химические технологии |
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| Online Access: | https://www.finechem-mirea.ru/jour/article/view/498 |
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| author | V. A. Dudarev |
| author_facet | V. A. Dudarev |
| author_sort | V. A. Dudarev |
| collection | DOAJ |
| description | The article is devoted to questions of accumulated data usage to find out regularities by means of pattern recognition methods that allow predicting formation of not synthesized substances and estimating its properties. The formal task of computer-aided inorganic compounds design is stated. An approach to reproduce of missing data in learning samples for computer-aided inorganic compounds design is proposed. It is based on combination of linear regression and interpolation taking into consideration the problem domain – inorganic chemistry. The approach is more powerful than methods of missed data reproduction used currently in information-analytical system for inorganic compounds design running at IMET RAS. |
| format | Article |
| id | doaj-art-a085ae50b28949c7bf8714b3d02c99b4 |
| institution | DOAJ |
| issn | 2410-6593 2686-7575 |
| language | Russian |
| publishDate | 2014-02-01 |
| publisher | MIREA - Russian Technological University |
| record_format | Article |
| series | Тонкие химические технологии |
| spelling | doaj-art-a085ae50b28949c7bf8714b3d02c99b42025-08-20T03:23:07ZrusMIREA - Russian Technological UniversityТонкие химические технологии2410-65932686-75752014-02-01917375492Approach to reproducing of missed data in learning samples for computer-aided inorganic compounds designV. A. Dudarev0M.V. Lomonosov Moscow State University of Fine Chemical Technologies, 86, Vernadskogo pr., Moscow 119571The article is devoted to questions of accumulated data usage to find out regularities by means of pattern recognition methods that allow predicting formation of not synthesized substances and estimating its properties. The formal task of computer-aided inorganic compounds design is stated. An approach to reproduce of missing data in learning samples for computer-aided inorganic compounds design is proposed. It is based on combination of linear regression and interpolation taking into consideration the problem domain – inorganic chemistry. The approach is more powerful than methods of missed data reproduction used currently in information-analytical system for inorganic compounds design running at IMET RAS.https://www.finechem-mirea.ru/jour/article/view/498computer-aided inorganic compounds design, linear regression, chemical elements property values interpolation. |
| spellingShingle | V. A. Dudarev Approach to reproducing of missed data in learning samples for computer-aided inorganic compounds design Тонкие химические технологии computer-aided inorganic compounds design, linear regression, chemical elements property values interpolation. |
| title | Approach to reproducing of missed data in learning samples for computer-aided inorganic compounds design |
| title_full | Approach to reproducing of missed data in learning samples for computer-aided inorganic compounds design |
| title_fullStr | Approach to reproducing of missed data in learning samples for computer-aided inorganic compounds design |
| title_full_unstemmed | Approach to reproducing of missed data in learning samples for computer-aided inorganic compounds design |
| title_short | Approach to reproducing of missed data in learning samples for computer-aided inorganic compounds design |
| title_sort | approach to reproducing of missed data in learning samples for computer aided inorganic compounds design |
| topic | computer-aided inorganic compounds design, linear regression, chemical elements property values interpolation. |
| url | https://www.finechem-mirea.ru/jour/article/view/498 |
| work_keys_str_mv | AT vadudarev approachtoreproducingofmisseddatainlearningsamplesforcomputeraidedinorganiccompoundsdesign |