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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| 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 |
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