Finding Reaction Pathways with Optimal Atomic Index Mappings
نویسندگان
چکیده
منابع مشابه
A Method for Finding Metabolic Pathways Using Atomic Group Tracking
A fundamental computational problem in metabolic engineering is to find pathways between compounds. Pathfinding methods using atom tracking have been widely used to find biochemically relevant pathways. However, these methods require the user to define the atoms to be tracked. This may lead to failing to predict the pathways that do not conserve the user-defined atoms. In this work, we propose ...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2019
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.123.206102