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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Bibliographic Details
Main Authors: R.I. Nugmanov, T.I. Madzhidov, I.S. Antipin, A.A. Varnek
Format: Article
Language:English
Published: Kazan Federal University 2018-03-01
Series:Учёные записки Казанского университета: Серия Естественные науки
Subjects:
Online Access:https://kpfu.ru/an-approach-for-automated-detection-of-missing_340052.html