CompRet: a comprehensive recommendation framework for chemical synthesis planning with algorithmic enumeration

In computer-assisted synthesis planning (CASP) programs, providing as many chemical synthetic routes as possible is essential for considering optimal and alternative routes in a chemical reaction network. As the majority of CASP programs have been designed to provide one or a few optimal routes, it...

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Bibliografiset tiedot
Julkaisussa:J Cheminform
Päätekijät: Shibukawa, Ryosuke, Ishida, Shoichi, Yoshizoe, Kazuki, Wasa, Kunihiro, Takasu, Kiyosei, Okuno, Yasushi, Terayama, Kei, Tsuda, Koji
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: Springer International Publishing 2020
Aiheet:
Preliminary Communication
Linkit:https://ncbi.nlm.nih.gov/pmc/articles/PMC7465358/
https://ncbi.nlm.nih.gov/pubmed/33431005
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-020-00452-5
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