Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/96714
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.
Editor: 
Rights: aberto
Identifier DOI: 10.1590/S0100-40422012000600017
Address: http://www.scopus.com/inward/record.url?eid=2-s2.0-84865260311&partnerID=40&md5=59b153f7c1f220187f01e734e14d1e50
Date Issue: 2012
Appears in Collections:Unicamp - Artigos e Outros Documentos

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