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Material Type: Artigo
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QSPR/QSAR-based Perturbation Theory approach and mechanistic electrochemical assays on carbon nanotubes with optimal properties against mitochondrial Fenton reaction experimentally induced by Fe2+-overloadMichael González Durruthy Micheli Castro; Silvana Manske Nunes; Juliane Ventura Lima; Luciane Carla Alberici; Zeki Naal; David T. Atique Sawazaki; Carlos Curti; Caroline Pires Ruas; Marcos A Gelesky; Kunal Roy; Humberto González-Díaz; José M MonserratCarbon nEW yORK v. 115, p. 312-330, 2017New York 2017Localização: FCFRP - Fac. Ciên. Farm. Ribeirão Preto (pcd 2921405 Estantes Deslizantes )(Acessar) |
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Material Type: Dissertação de Mestrado
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Desenvolvimento de modelos in silico de propriedades de ADME para a triagem de novos candidatos a fármacosModa, Tiago LuizBiblioteca Digital de Teses e Dissertações da USP; Universidade de São Paulo; Instituto de Física de São Carlos 2007-02-27Acesso online. A biblioteca também possui exemplares impressos. |
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Material Type: Artigo
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QSPR model for estimation of photodegradation average rate of the porphyrin-TiO2 complexes and prediction of their biodegradation activity and toxicity: Engineering of two annihilators for water/waste contaminantsNajafi, Mina ; Akbarzadeh, Ali Reza ; Rahimi, Rahmatollah ; Keshavarz, Mohammad HosseinJournal of molecular structure, 2022-02, Vol.1249, p.131463, Article 131463 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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Material Type: Artigo
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Chemoinformatics approaches to structure- and ligand-based drug design. [Editorial]Leonardo Luiz Gomes Ferreira Adriano Defini AndricopuloFrontiers in Pharmacology Lausanne : Frontiers Research Foundation v. 9, p. 1416-1-1416-2, Dec. 2018Lausanne 2018Localização: IFSC - Inst. Física de São Carlos (PROD028371 )(Acessar) |
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Material Type: Artigo
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Topological indices and QSPR/QSAR analysis of some antiviral drugs being investigated for the treatment of COVID‐19 patientsKirmani, Syed Ajaz K. ; Ali, Parvez ; Azam, FaizulInternational journal of quantum chemistry, 2021-05, Vol.121 (9), p.e26594-n/a [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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Material Type: Artigo
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On integral Sombor indicesRada, Juan ; Rodríguez, José M. ; Sigarreta, José M.Applied mathematics and computation, 2023-09, Vol.452, p.128036, Article 128036 [Periódico revisado por pares]Elsevier IncTexto completo disponível |
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Material Type: Artigo
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The study of the index of ideality of correlation as a new criterion of predictive potential of QSPR/QSAR-modelsToropov, Andrey A. ; Raška, Ivan ; Toropova, Alla P. ; Raškova, Maria ; Veselinović, Aleksandar M. ; Veselinović, Jovana B.The Science of the total environment, 2019-04, Vol.659, p.1387-1394 [Periódico revisado por pares]Netherlands: Elsevier B.VTexto completo disponível |
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Material Type: Artigo
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The coefficient of conformism of a correlative prediction (CCCP): Building up reliable nano-QSPRs/QSARs for endpoints of nanoparticles in different experimental conditions encoded via quasi-SMILESToropova, Alla P. ; Toropov, Andrey A.The Science of the total environment, 2024-06, Vol.927, p.172119-172119, Article 172119 [Periódico revisado por pares]Netherlands: Elsevier B.VTexto completo disponível |
9 |
Material Type: Artigo
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Quasi-SMILES and nano-QFPR: The predictive model for zeta potentials of metal oxide nanoparticlesToropov, Andrey A. ; Achary, P. Ganga Raju ; Toropova, Alla P.Chemical physics letters, 2016-09, Vol.660, p.107-110 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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Material Type: Artigo
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Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiTLi, Xinhao ; Fourches, DenisJournal of cheminformatics, 2020-04, Vol.12 (1), p.27-27, Article 27 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |