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An approach for automated detection of missing reagents and products in chemical reaction equations

One of the problems of chemical reactions databases management is the fact that most reactions in them are stoichiometrically unbalanced, i.e., they lack information about one or more reagents or products. It leads to the problem that some reactions cannot be found in structural searches. A solution...

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Autores principales: R.I. Nugmanov, T.I. Madzhidov, I.S. Antipin, A.A. Varnek
Formato: Artigo
Lenguaje:Inglês
Publicado: Kazan Federal University 2018-03-01
Colección:Учёные записки Казанского университета: Серия Естественные науки
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Acceso en línea:https://kpfu.ru/an-approach-for-automated-detection-of-missing_340052.html
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