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    QSAR modelling of integrin antagonists using enhanced bayesian regularised genetic neural networks

    , Article SAR and QSAR in Environmental Research ; Volume 22, Issue 3-4 , May , 2011 , Pages 293-314 ; 1062936X (ISSN) Jalali Heravi, M ; Mani Varnosfaderani, A ; Sharif University of Technology
    Bayesian regularised genetic neural network (BRGNN) has been used for modelling the inhibition activity of 141 biphenylalanine derivatives as integrin antagonists. Three local pattern search (PS) methods, simulated annealing and threshold acceptance were combined with BRGNN in the form of a hybrid genetic algorithm (HGA). The results obtained revealed that PS is a suitable method for improving the ability of BRGNN to break out from the local minima. The proposed HGA technique is able to retrieve important variables from complex systems and nonlinear search spaces for optimisation. Two models with 8-3-1 artificial neural network (ANN) architectures were developed for describingα 4β 7 and α 4β...