A new approach to atom-to-atom mapping using the naive Bayesian classifier
The key step in the computer analysis of chemical reactions is the determination of the correspondence between the atoms of reagents and products. This procedure is called atom-to-atom mapping (AAM). The presence of AAM is a key factor for establishing the mechanism and type of reaction, searching f...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Kazan Federal University
2018-06-01
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| Series: | Учёные записки Казанского университета: Серия Естественные науки |
| Subjects: | |
| Online Access: | https://kpfu.ru/a-new-approach-to-atom-to-atom-mapping-using-the_342806.html |