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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...
Autores principales: | , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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Materias: | |
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 |