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Prediction of Optimal Conditions of Hydrogenation Reaction Using the Likelihood Ranking Approach

The selection of experimental conditions leading to a reasonable yield is an important and essential element for the automated development of a synthesis plan and the subsequent synthesis of the target compound. The classical QSPR approach, requiring one-to-one correspondence between chemical struct...

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Detalles Bibliográficos
Autores principales:	Afonina, Valentina A., Mazitov, Daniyar A., Nurmukhametova, Albina, Shevelev, Maxim D., Khasanova, Dina A., Nugmanov, Ramil I., Burilov, Vladimir A., Madzhidov, Timur I., Varnek, Alexandre
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8745269/ https://www.ncbi.nlm.nih.gov/pubmed/35008674 http://dx.doi.org/10.3390/ijms23010248

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