Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Ramil Babazade"'
Publikováno v:
Scientific Data, Vol 11, Iss 1, Pp 1-9 (2024)
Abstract Understanding organic reaction mechanisms is crucial for interpreting the formation of products at the atomic and electronic level, but still remains as a domain of knowledgeable experts. The lack of a large-scale dataset with chemically rea
Externí odkaz:
https://doaj.org/article/1b1438601866478aa2fb9936b2deb2c8
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-10 (2024)
Abstract Atom-to-atom mapping (AAM) is a task of identifying the position of each atom in the molecules before and after a chemical reaction, which is important for understanding the reaction mechanism. As more machine learning (ML) models were devel
Externí odkaz:
https://doaj.org/article/28154dc9a99c4da49aed3084dd3a8fe4