Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Michał Kaźmierowski"'
Autor:
Wojciech Jaworski, Sara Szymkuć, Barbara Mikulak-Klucznik, Krzysztof Piecuch, Tomasz Klucznik, Michał Kaźmierowski, Jan Rydzewski, Anna Gambin, Bartosz A. Grzybowski
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-11 (2019)
Mapping atoms across chemical reactions represents a challenging computational task. Here the authors show via a combination of graph theory and combinatorics with expert chemical knowledge the possibility to map very complex organic reactions.
Externí odkaz:
https://doaj.org/article/18d4bee607ab48129263f93d8bb35c5f
Autor:
Bartosz A. Grzybowski, Michał Kaźmierowski, Jan Rydzewski, Wojciech Jaworski, Krzysztof Piecuch, Anna Gambin, Tomasz Klucznik, Sara Szymkuć, Barbara Mikulak-Klucznik
Publikováno v:
Nature Communications
Nature Communications, Vol 10, Iss 1, Pp 1-11 (2019)
Nature Communications, Vol 10, Iss 1, Pp 1-11 (2019)
Mapping atoms across chemical reactions is important for substructure searches, automatic extraction of reaction rules, identification of metabolic pathways, and more. Unfortunately, the existing mapping algorithms can deal adequately only with relat