University Côte d'Azur, I3S laboratory, UMR CNRS 7271, CS 40121, 06903 Sophia Antipolis CEDEX, France.
Intelligent Systems and Networks Group, Department of Electrical and Electronic Engineering, Imperial College, London SW7 2AZ, UK.
Sensors (Basel). 2018 Oct 16;18(10):3483. doi: 10.3390/s18103483.
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.
G 网络及其简化版,即随机神经网络,常被用于数据分类。本文提出了一种使用随机神经网络的方法,通过预测化合物的物理化学结构来预测其生物活性,从而实现对潜在毒性化合物的早期检测,并提出使用机器学习(ML)技术实现自动化。具体来说,随机神经网络被证明是一种有效的分析工具,该方法还与几种 ML 技术进行了比较和说明。