Reactions’ descriptors selection and yield estimation using metaheuristic algorithms and voting ensemble

Olutomilayo Olayemi Petinrin, Faisal Saeed, Xiangtao Li, Fahad Ghabban, Ka Chun Wong*

*Corresponding author for this work

    Research output: Contribution to journalArticlepeer-review

    1 Citation (SciVal)
    Original languageEnglish
    Pages (from-to)4745-4762
    Number of pages18
    JournalComputers, Materials and Continua
    Volume70
    Issue number3
    DOIs
    Publication statusPublished (VoR) - 2022

    Funding

    Funding Statement: The work described in this paper was substantially supported by the grant from the Research Grants Council of the Hong Kong Special Administrative Region [CityU 11200218], one grant from the Health and Medical Research Fund, the Food and Health Bureau, The Government of the Hong Kong Special Administrative Region [07181426], and the funding from Hong Kong Institute for Data Science (HKIDS) at City University of Hong Kong. The work described in this paper was partially supported by two grants from City University of Hong Kong (CityU 11202219, CityU 11203520). This research was substantially sponsored by the research project (Grant No. 32000464) supported by the National Natural Science Foundation of China and was substantially supported by the Shenzhen Research Institute, City University of Hong Kong. The authors extend their appreciation to the Deputyship for Research & Innovation, Ministry of Education in Saudi Arabia for funding this research with the project number (442/77).

    FundersFunder number
    CityU
    Ministry of Education in Saudi Arabia442/77
    City University of Hong Kong32000464, 11203520, 11200218, 11202219
    Shenzhen Research Institute, City University of Hong Kong
    Hong Kong Institute for Data Science
    National Natural Science Foundation of China
    Research Grants Council, University Grants Committee
    Food and Health Bureau07181426
    Health and Medical Research Fund

      Keywords

      • Buchwald-Hartwig reaction
      • Descriptor selection
      • Machine learning
      • Metaheuristic algorithm
      • Palladium-catalyzed cross-coupling reaction
      • Voting ensemble

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