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Filtros : "Journal of Chemical Information and Modeling" "Indexado no PubMed" Limpar

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1 - 6 (6 registros)

  • Artigo de periodico-carta/editorial

    Machine Learning in Materials Science. [Editorial] (2024)

    Merz, Kenneth M; Choong, Yee Siew; Cournia, Zoe; Isayev, Olexandr; Soares, Thereza Amélia ; Wei, Guo-Wei; Zhu, Feng

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

    Assuntos: ALGORITMOS, APRENDIZADO COMPUTACIONAL, BIOMATERIAIS

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    • ABNT

      MERZ, Kenneth M et al. Machine Learning in Materials Science. [Editorial]. Journal of Chemical Information and Modeling. Washington: Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto, Universidade de São Paulo. Disponível em: https://doi.org/10.1021/acs.jcim.4c00727. Acesso em: 09 nov. 2025. , 2024

    • APA

      Merz, K. M., Choong, Y. S., Cournia, Z., Isayev, O., Soares, T. A., Wei, G. -W., & Zhu, F. (2024). Machine Learning in Materials Science. [Editorial]. Journal of Chemical Information and Modeling. Washington: Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto, Universidade de São Paulo. doi:10.1021/acs.jcim.4c00727

    • NLM

      Merz KM, Choong YS, Cournia Z, Isayev O, Soares TA, Wei G-W, Zhu F. Machine Learning in Materials Science. [Editorial] [Internet]. Journal of Chemical Information and Modeling. 2024 ; 64( 10): 3959-3960.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.4c00727

    • Vancouver

      Merz KM, Choong YS, Cournia Z, Isayev O, Soares TA, Wei G-W, Zhu F. Machine Learning in Materials Science. [Editorial] [Internet]. Journal of Chemical Information and Modeling. 2024 ; 64( 10): 3959-3960.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.4c00727

  • Artigo de periodico-carta/editorial

    Enhancing coarse-grained models through machine learning. [Editorial] (2024)

    Karmakar, Tarak; Soares, Thereza Amélia ; Merz Jr, Kenneth M

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

    Assuntos: APRENDIZADO COMPUTACIONAL, SIMULAÇÃO, MODELAGEM MOLECULAR, NANOPARTÍCULAS

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    • ABNT

      KARMAKAR, Tarak e SOARES, Thereza Amélia e MERZ JR, Kenneth M. Enhancing coarse-grained models through machine learning. [Editorial]. Journal of Chemical Information and Modeling. Washington: Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto, Universidade de São Paulo. Disponível em: https://doi.org/10.1021/acs.jcim.4c00537. Acesso em: 09 nov. 2025. , 2024

    • APA

      Karmakar, T., Soares, T. A., & Merz Jr, K. M. (2024). Enhancing coarse-grained models through machine learning. [Editorial]. Journal of Chemical Information and Modeling. Washington: Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto, Universidade de São Paulo. doi:10.1021/acs.jcim.4c00537

    • NLM

      Karmakar T, Soares TA, Merz Jr KM. Enhancing coarse-grained models through machine learning. [Editorial] [Internet]. Journal of Chemical Information and Modeling. 2024 ; 64( 8): 2931-2932.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.4c00537

    • Vancouver

      Karmakar T, Soares TA, Merz Jr KM. Enhancing coarse-grained models through machine learning. [Editorial] [Internet]. Journal of Chemical Information and Modeling. 2024 ; 64( 8): 2931-2932.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.4c00537

  • Artigo de periodico-carta/editorial

    Editing DNA and RNA through Computations [Editorial] (2023)

    Palermo, Giulia; Soares, Thereza A.

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

    Assuntos: QUÍMICA, REPLICAÇÃO DO DNA, GENÔMICA, ÁCIDOS NUCLEICOS

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    • ABNT

      PALERMO, Giulia e SOARES, Thereza A. Editing DNA and RNA through Computations [Editorial]. Journal of Chemical Information and Modeling. Washington: Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto, Universidade de São Paulo. Disponível em: https://doi.org/10.1021/acs.jcim.3c01824. Acesso em: 09 nov. 2025. , 2023

    • APA

      Palermo, G., & Soares, T. A. (2023). Editing DNA and RNA through Computations [Editorial]. Journal of Chemical Information and Modeling. Washington: Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto, Universidade de São Paulo. doi:10.1021/acs.jcim.3c01824

    • NLM

      Palermo G, Soares TA. Editing DNA and RNA through Computations [Editorial] [Internet]. Journal of Chemical Information and Modeling. 2023 ; 63( 24): 7603-7604.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.3c01824

    • Vancouver

      Palermo G, Soares TA. Editing DNA and RNA through Computations [Editorial] [Internet]. Journal of Chemical Information and Modeling. 2023 ; 63( 24): 7603-7604.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.3c01824

  • Artigo de periodico

    Making soup: preparing and validating models of the bacterial cytoplasm for molecular simulation (2020)

    Bortot, Leandro Oliveira; Bashardanesh, Zahedeh; van der Spoel, David

    Fonte: Journal of Chemical Information and Modeling. Unidade: FCFRP

    Assuntos: CITOPLASMA, RNA, ESCHERICHIA COLI

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    • ABNT

      BORTOT, Leandro Oliveira e BASHARDANESH, Zahedeh e VAN DER SPOEL, David. Making soup: preparing and validating models of the bacterial cytoplasm for molecular simulation. Journal of Chemical Information and Modeling, v. 60, n. 1, p. 322-331, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00971. Acesso em: 09 nov. 2025.

    • APA

      Bortot, L. O., Bashardanesh, Z., & van der Spoel, D. (2020). Making soup: preparing and validating models of the bacterial cytoplasm for molecular simulation. Journal of Chemical Information and Modeling, 60( 1), 322-331. doi:10.1021/acs.jcim.9b00971

    • NLM

      Bortot LO, Bashardanesh Z, van der Spoel D. Making soup: preparing and validating models of the bacterial cytoplasm for molecular simulation [Internet]. Journal of Chemical Information and Modeling. 2020 ;60( 1): 322-331.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00971

    • Vancouver

      Bortot LO, Bashardanesh Z, van der Spoel D. Making soup: preparing and validating models of the bacterial cytoplasm for molecular simulation [Internet]. Journal of Chemical Information and Modeling. 2020 ;60( 1): 322-331.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00971

  • Artigo de periodico

    Rational design and 3D-pharmacophore mapping of 5 '-thiourea-substituted 'alpha'-thymidine analogues as mycobacterial TMPK inhibitors (2009)

    Andrade, Carolina Horta; Pasqualoto, Kerly Fernanda Mesquita; Ferreira, Elizabeth Igne ; Hopfinger, Anton J.

    Fonte: Journal of Chemical Information and Modeling. Unidade: FCF

    Assuntos: FARMACOLOGIA, RELAÇÕES QUANTITATIVAS ENTRE ESTRUTURA QUÍMICA E ATIVIDADE BIOLÓGICA, MEDICAMENTO

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    • ABNT

      ANDRADE, Carolina Horta et al. Rational design and 3D-pharmacophore mapping of 5 '-thiourea-substituted 'alpha'-thymidine analogues as mycobacterial TMPK inhibitors. Journal of Chemical Information and Modeling, v. 49, n. 4, p. 1070-1078, 2009Tradução . . Disponível em: http://pubs.acs.org/doi/pdf/10.1021/ci8004622. Acesso em: 09 nov. 2025.

    • APA

      Andrade, C. H., Pasqualoto, K. F. M., Ferreira, E. I., & Hopfinger, A. J. (2009). Rational design and 3D-pharmacophore mapping of 5 '-thiourea-substituted 'alpha'-thymidine analogues as mycobacterial TMPK inhibitors. Journal of Chemical Information and Modeling, 49( 4), 1070-1078. Recuperado de http://pubs.acs.org/doi/pdf/10.1021/ci8004622

    • NLM

      Andrade CH, Pasqualoto KFM, Ferreira EI, Hopfinger AJ. Rational design and 3D-pharmacophore mapping of 5 '-thiourea-substituted 'alpha'-thymidine analogues as mycobacterial TMPK inhibitors [Internet]. Journal of Chemical Information and Modeling. 2009 ; 49( 4): 1070-1078.[citado 2025 nov. 09 ] Available from: http://pubs.acs.org/doi/pdf/10.1021/ci8004622

    • Vancouver

      Andrade CH, Pasqualoto KFM, Ferreira EI, Hopfinger AJ. Rational design and 3D-pharmacophore mapping of 5 '-thiourea-substituted 'alpha'-thymidine analogues as mycobacterial TMPK inhibitors [Internet]. Journal of Chemical Information and Modeling. 2009 ; 49( 4): 1070-1078.[citado 2025 nov. 09 ] Available from: http://pubs.acs.org/doi/pdf/10.1021/ci8004622

  • Artigo de periodico

    Sesquiterpene lactones-based classification of the family Asteraceae using neural networks and 'capa'-nearest neighbors (2007)

    Hristozov, Dimitar; Costa, Fernando Batista da; Gasteiger, Johann

    Fonte: Journal of Chemical Information and Modeling. Unidade: FCFRP

    Assuntos: PLANTAS, SESQUITERPENOS, COMPOSITAE

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    • ABNT

      HRISTOZOV, Dimitar e COSTA, Fernando Batista da e GASTEIGER, Johann. Sesquiterpene lactones-based classification of the family Asteraceae using neural networks and 'capa'-nearest neighbors. Journal of Chemical Information and Modeling, v. 47, n. 1, p. 9-19, 2007Tradução . . Acesso em: 09 nov. 2025.

    • APA

      Hristozov, D., Costa, F. B. da, & Gasteiger, J. (2007). Sesquiterpene lactones-based classification of the family Asteraceae using neural networks and 'capa'-nearest neighbors. Journal of Chemical Information and Modeling, 47( 1), 9-19.

    • NLM

      Hristozov D, Costa FB da, Gasteiger J. Sesquiterpene lactones-based classification of the family Asteraceae using neural networks and 'capa'-nearest neighbors. Journal of Chemical Information and Modeling. 2007 ; 47( 1): 9-19.[citado 2025 nov. 09 ]

    • Vancouver

      Hristozov D, Costa FB da, Gasteiger J. Sesquiterpene lactones-based classification of the family Asteraceae using neural networks and 'capa'-nearest neighbors. Journal of Chemical Information and Modeling. 2007 ; 47( 1): 9-19.[citado 2025 nov. 09 ]
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1 - 6 (6 registros)

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