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|Type:||Artigo de periódico|
|Title:||Desenhos de estruturas químicas correlacionam-se com propriedades biológicas: MIA-QSAR|
|Title Alternative:||Chemical drawings correlate to biological properties: MIA-QSAR|
|Author:||Cormanich, Rodrigo A.|
Nunes, Cleiton A.
Freitas, Matheus P.
|Abstract:||Descriptors in multivariate image analysis applied to quantitative structure-activity relationship (MIA-QSAR) are pixels of bidimensional images of chemical structures (drawings), which were used to model the trichomonicidal activities of a series of benzimidazole derivatives. The MIA-QSAR model showed good predictive ability, with r², q² and r val. ext.² of 0.853, 0.519 and 0.778, respectively, which are comparable to the best values obtained by CoMFA e CoMSIA for the same series. A MIA-based analysis was also performed by using images of alphabetic letters with the corresponding numeric ordering as dependent variables, but no correlation was found, supporting that MIA-QSAR is not arbitrary.|
|Subject:||multivariate image analysis|
|Editor:||Sociedade Brasileira de Química|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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