Please use this identifier to cite or link to this item:
Type: Artigo de periódico
Title: Chemical Drawings Correlate To Biological Properties: Mia-qsar. [desenhos De Estruturas Químicas Correlacionam-se Com Propriedades Biológicas: Mia-qsar]
Author: Cormanich R.A.
Nunes C.A.
Freitas M.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 r 2 r, q 2 r and r val and 2r 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.
Rights: aberto
Identifier DOI: 10.1590/S0100-40422012000600017
Date Issue: 2012
Appears in Collections:Unicamp - Artigos e Outros Documentos

Files in This Item:
There are no files associated with this item.

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.