G-Networks to Predict the Outcome of Sensing of Toxicity
Ingrid Grenet1, Yonghua Yin2, Jean-Paul Comet3
1University Côte d'Azur, I3S laboratory, UMR CNRS 7271, CS 40121, 06903 Sophia Antipolis CEDEX, France. grenet@i3s.unice.fr.
Abstract:
G-Networks and their simplified version known as the Random Neural Network have often been used to classify data. In this paper, we present a use of the Random Neural Network to the early detection of potential of toxicity chemical compounds through the prediction of their bioactivity from the compounds' physico-chemical structure, and propose that it be automated using machine learning (ML) techniques. Specifically the Random Neural Network is shown to be an effective analytical tool to this effect, and the approach is illustrated and compared with several ML techniques.
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