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1
QSPR/QSAR-based Perturbation Theory approach and mechanistic electrochemical assays on carbon nanotubes with optimal properties against mitochondrial Fenton reaction experimentally induced by Fe2+-overload
QSPR/QSAR-based Perturbation Theory approach and mechanistic electrochemical assays on carbon nanotubes with optimal properties against mitochondrial Fenton reaction experimentally induced by Fe2+-overload
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Artigo 		Adicionar ao Meu Espaço

QSPR/QSAR-based Perturbation Theory approach and mechanistic electrochemical assays on carbon nanotubes with optimal properties against mitochondrial Fenton reaction experimentally induced by Fe2+-overload

Michael 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 Monserrat

Carbon nEW yORK v. 115, p. 312-330, 2017

New York 2017

Localização: FCFRP - Fac. Ciên. Farm. Ribeirão Preto    (pcd 2921405 Estantes Deslizantes )(Acessar)

2
Desenvolvimento de modelos in silico de propriedades de ADME para a triagem de novos candidatos a fármacos
Desenvolvimento de modelos in silico de propriedades de ADME para a triagem de novos candidatos a fármacos
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Desenvolvimento de modelos in silico de propriedades de ADME para a triagem de novos candidatos a fármacos

Moda, Tiago Luiz

Biblioteca Digital de Teses e Dissertações da USP; Universidade de São Paulo; Instituto de Física de São Carlos 2007-02-27

Acesso online. A biblioteca também possui exemplares impressos.

3
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 contaminants
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 contaminants
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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 contaminants

Najafi, Mina ; Akbarzadeh, Ali Reza ; Rahimi, Rahmatollah ; Keshavarz, Mohammad Hossein

Journal of molecular structure, 2022-02, Vol.1249, p.131463, Article 131463 [Periódico revisado por pares]

Elsevier B.V

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4
Chemoinformatics approaches to structure- and ligand-based drug design. [Editorial]
Chemoinformatics approaches to structure- and ligand-based drug design. [Editorial]
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Chemoinformatics approaches to structure- and ligand-based drug design. [Editorial]

Leonardo Luiz Gomes Ferreira Adriano Defini Andricopulo

Frontiers in Pharmacology Lausanne : Frontiers Research Foundation v. 9, p. 1416-1-1416-2, Dec. 2018

Lausanne 2018

Localização: IFSC - Inst. Física de São Carlos    (PROD028371 )(Acessar)

5
Topological indices and QSPR/QSAR analysis of some antiviral drugs being investigated for the treatment of COVID‐19 patients
Topological indices and QSPR/QSAR analysis of some antiviral drugs being investigated for the treatment of COVID‐19 patients
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Topological indices and QSPR/QSAR analysis of some antiviral drugs being investigated for the treatment of COVID‐19 patients

Kirmani, Syed Ajaz K. ; Ali, Parvez ; Azam, Faizul

International journal of quantum chemistry, 2021-05, Vol.121 (9), p.e26594-n/a [Periódico revisado por pares]

Hoboken, USA: John Wiley & Sons, Inc

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6
On integral Sombor indices
On integral Sombor indices
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On integral Sombor indices

Rada, Juan ; Rodríguez, José M. ; Sigarreta, José M.

Applied mathematics and computation, 2023-09, Vol.452, p.128036, Article 128036 [Periódico revisado por pares]

Elsevier Inc

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7
The study of the index of ideality of correlation as a new criterion of predictive potential of QSPR/QSAR-models
The study of the index of ideality of correlation as a new criterion of predictive potential of QSPR/QSAR-models
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The study of the index of ideality of correlation as a new criterion of predictive potential of QSPR/QSAR-models

Toropov, 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.V

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8
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-SMILES
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-SMILES
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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-SMILES

Toropova, 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.V

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9
Quasi-SMILES and nano-QFPR: The predictive model for zeta potentials of metal oxide nanoparticles
Quasi-SMILES and nano-QFPR: The predictive model for zeta potentials of metal oxide nanoparticles
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Quasi-SMILES and nano-QFPR: The predictive model for zeta potentials of metal oxide nanoparticles

Toropov, 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.V

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10
Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiT
Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiT
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Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiT

Li, Xinhao ; Fourches, Denis

Journal of cheminformatics, 2020-04, Vol.12 (1), p.27-27, Article 27 [Periódico revisado por pares]

Cham: Springer International Publishing

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Deste Autor:

  1. Andricopulo, A
  2. Sawazaki, D
  3. Nunes, S
  4. Castro, M
  5. Monserrat, J

Neste Assunto:

  1. Science & Technology
  2. Qspr/qsar
  3. Physical Sciences
  4. Chemistry
  5. Life Sciences & Biomedicine

  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

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