Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Rail Suleymanov"'
Autor:
Natalia Dyubankova, Valentina A. Afonina, Assima Rakhimbekova, Zarina Ibragimova, Rail Suleymanov, Alexandre Varnek, Andrei Gedich, Timur R. Gimadiev, Joerg Wegner, Pavel Sidorov, Jonas Verhoeven, Arkadii Lin, Hugo Ceulemans, Ravil Mukhametgaleev, Timur I. Madzhidov, R. I. Nugmanov
Publikováno v:
Molecular Informatics
Molecular Informatics, Wiley-VCH, 2021, pp.2100138. ⟨10.1002/minf.202100138⟩
Molecular Informatics, Wiley-VCH, 2021, pp.2100138. ⟨10.1002/minf.202100138⟩
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 was optimized, a
Autor:
ArkadiiI. Lin, Timur R. Gimadiev, Hugo Ceulemans, Rail Suleymanov, Tagir Akhmetshin, Jonas Verhoeven, Jörg K. Wegner, Natalia Dyubankova, Timur I. Madzhidov, R. I. Nugmanov, Alexandre Varnek, Assima Rakhimbekova, Zarina Ibragimova
Here, we discuss a reaction standardization protocol followed by a comparison of popular Atom-to-atom mapping (AAM) tools (ChemAxon, Indigo, RDTool, NextMove and RXNMapper) as well as some consensus AAM strategies. For this purpose, a dataset of 1851
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3eeeb3028dc1888d85ae7c7c988a6283
https://doi.org/10.26434/chemrxiv.13012679.v1
https://doi.org/10.26434/chemrxiv.13012679.v1