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João Montargil Aires de Sousa

  • 1301 Citations
  • 22 h-Index
20022019

Research output per year

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Personal profile

Research interests

Chemoinformatics, chemometrics, machine learning, organic chemistry, bioinformatics, big data.

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Research Output at NOVA

Machine learning to predict the specific optical rotations of chiral fluorinated molecules

Chen, M., Wu, T., Xiao, K., Zhao, T., Zhou, Y., Zhang, Q. & Aires-de-Sousa, J., 5 Dec 2019, In : Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 223, 117289.

Research output: Contribution to journalArticle

  • 1 Citation (Scopus)

    Computational methodologies in the exploration of marine natural product leads

    Pereira, F. & Aires-de-Sousa, J., 1 Jul 2018, In : Marine Drugs. 16, 7, 236.

    Research output: Contribution to journalReview article

    Open Access
  • 24 Citations (Scopus)

    Exploration of automatic learning to establish relationships between the molecular structure of chiral ionic liquids and the specific optical rotation

    Chen, M., Xiao, K., Zhao, T., Zhou, Y., Zhang, Q. & Aires-de-Sousa, J., 15 Mar 2018, In : Journal of Molecular Liquids. 254, p. 231-240 10 p.

    Research output: Contribution to journalArticle

  • 4 Citations (Scopus)

    Fragmentation pattern of amides by EI and HRESI: Study of protonation sites using DFT-3LYP data

    Fokoue, H. H., Marques, J. V., Correia, M. V., Yamaguchi, L. F., Qu, X., Aires-De-Sousa, J., Scotti, M. T., Lopes, N. P. & Kato, M. J., 2018, In : RSC Advances. 8, 38, p. 21407-21413 7 p.

    Research output: Contribution to journalArticle

    Open Access
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  • 3 Citations (Scopus)
    39 Downloads (Pure)
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  • 2 Citations (Scopus)
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