Browsing by Subject "atom-to-atom mapping"

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  • Lin A.; Dyubankova N.; Madzhidov T.I.; Nugmanov R.I.; Verhoeven J.; Gimadiev T.R.; Afonina V.A.; Ibragimova Z.; Rakhimbekova A.; Sidorov P.; Gedich A.; Suleymanov R.; Mukhametgaleev R.; Wegner J.; Ceulemans H.; Varnek A. (2021)
    In this paper, we compare the most popular Atom-to-Atom Mapping (AAM) tools: ChemAxon,[1] Indigo,[2] RDTool,[3] NameRXN (NextMove),[4] and RXNMapper[5] which implement different AAM algorithms. An open-source RDTool program ...

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