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Type: Artigo de evento
Title: The 4-indolyl-2-guanidinothiazoles Qsar Study Of Anti-ulcer Activity Using Quantum Descriptors
Author: Borges E.G.
Takahata Y.
Abstract: The QSAR modeling of the inhibitory capability of a series of 28 4-indolyl 2-guanidinothiazoles on enzyme H+K+-ATPase. was done with empirical models based on the calculated quantum mechanical descriptors. We used Partial Least Squares (PLS), Principal Component Regression (PCR) and Back Propagation Neural network (BPN) to establish the empirical relations. The results showed high correlation between the predicted values of the biological activity of the compounds and the experimentally measured one in vitro. © 2002 Elsevier Science B.V. All rights reserved.
Rights: fechado
Identifier DOI: 10.1016/S0166-1280(01)00622-4
Date Issue: 2002
Appears in Collections:Unicamp - Artigos e Outros Documentos

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