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Material Type: Artigo
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A Short Review of the Generation of Molecular Descriptors and Their Applications in Quantitative Structure Property/Activity RelationshipsSahoo, Sagarika ; Adhikari, Chandana ; Kuanar, Minati ; Mishra, Bijay KCurrent computer-aided drug design, 2016-09, Vol.12 (3), p.181-205 [Periódico revisado por pares]United Arab Emirates: Bentham Science Publishers LtdTexto completo disponível |
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Material Type: Artigo
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Designing novel antitrypanosomal agents from a mixed graph-theoretical substructural approachPlanche, Alejandro Speck ; Scotti, Marcus Tulius ; Emerenciano, Vicente de Paulo ; López, América García ; Pérez, Enrique Molina ; Uriarte, EugenioJournal of computational chemistry, 2010-03, Vol.31 (4), p.882-894 [Periódico revisado por pares]Hoboken: Wiley Subscription Services, Inc., A Wiley CompanyTexto completo disponível |
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3 |
Material Type: Artigo
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Statistical significance of valency-based topological descriptors for correlating thermodynamic properties of benzenoid hydrocarbons with applicationsHayat, Sakander ; Suhaili, Nurin ; Jamil, HaziqComputational and theoretical chemistry, 2023-09, Vol.1227, p.114259, Article 114259 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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Material Type: Artigo
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Design of novel antituberculosis compounds using graph-theoretical and substructural approachesPlanche, Alejandro Speck ; Scotti, Marcus Tulius ; López, América García ; de Paulo Emerenciano, Vicente ; Pérez, Enrique Molina ; Uriarte, EugenioMolecular diversity, 2009-11, Vol.13 (4), p.445-458 [Periódico revisado por pares]Dordrecht: Dordrecht : Springer NetherlandsTexto completo disponível |
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5 |
Material Type: Artigo
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Novel map descriptors for characterization of toxic effects in proteomics mapsBajzer, Željko ; Randić, Milan ; Plavšić, Dejan ; Basak, Subhash CJournal of molecular graphics & modelling, 2003-09, Vol.22 (1), p.1-9 [Periódico revisado por pares]United States: Elsevier IncTexto completo disponível |
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Material Type: Artigo
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On the Usefulness of Graph-theoretic Descriptors in Predicting Theoretical Parameters. Phototoxicity of Polycyclic Aromatic Hydrocarbons (PAHs)Estrada, Ernesto ; Patlewicz, GraceCroatica Chemica Acta, 2004-05, Vol.77 (1-2), p.203Hrvatsko kemijsko društvoTexto completo disponível |
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7 |
Material Type: Artigo
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An efficient and robust line segment matching approach based on LBD descriptor and pairwise geometric consistencyZhang, Lilian ; Koch, ReinhardJournal of visual communication and image representation, 2013-10, Vol.24 (7), p.794-805 [Periódico revisado por pares]Amsterdam: Elsevier IncTexto completo disponível |
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8 |
Material Type: Artigo
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Computation of Degree-Based Topological Descriptors Using M-Polynomial for Coronoid SystemsJulietraja, K. ; Venugopal, P.Polycyclic aromatic compounds, 2022-04, Vol.42 (4), p.1770-1793 [Periódico revisado por pares]Philadelphia: Taylor & FrancisTexto completo disponível |
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9 |
Material Type: Artigo
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Molecular Structural Descriptors of Donut Benzenoid SystemsK., Julietraja ; P., Venugopal ; S., Prabhu ; S., Deepa ; Siddiqui, Muhammad KamranPolycyclic aromatic compounds, 2022-08, Vol.42 (7), p.4146-4172 [Periódico revisado por pares]Philadelphia: Taylor & FrancisTexto completo disponível |
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10 |
Material Type: Artigo
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Structural Analysis of Three Types of PAHs using Entropy MeasuresJulietraja, Konsalraj ; Venugopal, Padmanabhan ; Prabhu, Savari ; Arulmozhi, Arumugam Krishnan ; Siddiqui, Muhammad KamranPolycyclic aromatic compounds, 2022-08, Vol.42 (7), p.4101-4131 [Periódico revisado por pares]Philadelphia: Taylor & FrancisTexto completo disponível |