Approach to reproducing of missed data in learning samples for computer-aided inorganic compounds design

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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Main Author: V. A. Dudarev
Format: Article
Language:Russian
Published: MIREA - Russian Technological University 2014-02-01
Series:Тонкие химические технологии
Subjects:
computer-aided inorganic compounds design, linear regression, chemical elements property values interpolation.
Online Access:https://www.finechem-mirea.ru/jour/article/view/498
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spelling doaj-a085ae50b28949c7bf8714b3d02c99b42021-07-28T13:23:57ZrusMIREA - 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.
collection DOAJ
language Russian
format Article
sources DOAJ
author V. A. Dudarev
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.
author_facet V. A. Dudarev
author_sort V. A. Dudarev
title 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_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_sort approach to reproducing of missed data in learning samples for computer-aided inorganic compounds design
publisher MIREA - Russian Technological University
series Тонкие химические технологии
issn 2410-6593
2686-7575
publishDate 2014-02-01
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.
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
_version_ 1721274968421957632

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