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Filtros : "Journal of Chemical Information and Modeling" "Financiamento CAPES" Removido: "Financiamento FAPESP" Limpar

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  • Artigo de periodico

    Prioritizing virtual screening with interpretable interaction Fingerprints (2022)

    Fassio, Alexandre Victor ; Shub, Laura ; Ponzoni, Luca ; McKinley, Jessica ; O’Meara, Matthew J. ; Ferreira, Rafaela S.; Keiser, Michael J. ; Minardi, Raquel C. de Melo

    Source: Journal of Chemical Information and Modeling. Unidade: IFSC

    Subjects: APRENDIZADO COMPUTACIONAL, FÁRMACOS (ESTUDO;DESENVOLVIMENTO)

    PrivadoAcesso à fonteDOIHow to cite
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    • ABNT

      FASSIO, Alexandre Victor et al. Prioritizing virtual screening with interpretable interaction Fingerprints. Journal of Chemical Information and Modeling, v. 62, n. 18, p. 4300-4318, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.2c00695. Acesso em: 22 nov. 2025.

    • APA

      Fassio, A. V., Shub, L., Ponzoni, L., McKinley, J., O’Meara, M. J., Ferreira, R. S., et al. (2022). Prioritizing virtual screening with interpretable interaction Fingerprints. Journal of Chemical Information and Modeling, 62( 18), 4300-4318. doi:10.1021/acs.jcim.2c00695

    • NLM

      Fassio AV, Shub L, Ponzoni L, McKinley J, O’Meara MJ, Ferreira RS, Keiser MJ, Minardi RC de M. Prioritizing virtual screening with interpretable interaction Fingerprints [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62( 18): 4300-4318.[citado 2025 nov. 22 ] Available from: https://doi.org/10.1021/acs.jcim.2c00695

    • Vancouver

      Fassio AV, Shub L, Ponzoni L, McKinley J, O’Meara MJ, Ferreira RS, Keiser MJ, Minardi RC de M. Prioritizing virtual screening with interpretable interaction Fingerprints [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62( 18): 4300-4318.[citado 2025 nov. 22 ] Available from: https://doi.org/10.1021/acs.jcim.2c00695

  • Artigo de periodico

    In silico infrared characterization of synthetic cannabinoids by quantum chemistry and chemometrics (2020)

    Castro, Jade Simões de; Rodrigues, Caio Henrique Pinke ; Bruni, Aline Thaís

    Source: Journal of Chemical Information and Modeling. Unidade: FFCLRP

    Subjects: CANABINOIDES, SIMULAÇÃO, TRANSTORNOS RELACIONADOS AO USO DE SUBSTÂNCIAS

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    • ABNT

      CASTRO, Jade Simões de e RODRIGUES, Caio Henrique Pinke e BRUNI, Aline Thaís. In silico infrared characterization of synthetic cannabinoids by quantum chemistry and chemometrics. Journal of Chemical Information and Modeling, v. 60, n. 4, p. 2100-2114, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00871. Acesso em: 22 nov. 2025.

    • APA

      Castro, J. S. de, Rodrigues, C. H. P., & Bruni, A. T. (2020). In silico infrared characterization of synthetic cannabinoids by quantum chemistry and chemometrics. Journal of Chemical Information and Modeling, 60( 4), 2100-2114. doi:10.1021/acs.jcim.9b00871

    • NLM

      Castro JS de, Rodrigues CHP, Bruni AT. In silico infrared characterization of synthetic cannabinoids by quantum chemistry and chemometrics [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 4): 2100-2114.[citado 2025 nov. 22 ] Available from: https://doi.org/10.1021/acs.jcim.9b00871

    • Vancouver

      Castro JS de, Rodrigues CHP, Bruni AT. In silico infrared characterization of synthetic cannabinoids by quantum chemistry and chemometrics [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 4): 2100-2114.[citado 2025 nov. 22 ] Available from: https://doi.org/10.1021/acs.jcim.9b00871
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