G-Networks to Predict the Outcome of Sensing of Toxicity

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.

[1]  Erol Gelenbe,et al.  Cognitive Packet Network for Bilateral Asymmetric Connections , 2014, IEEE Transactions on Industrial Informatics.

[2]  Erol Gelenbe,et al.  Adaptive workload distribution for local and remote Clouds , 2016, 2016 IEEE International Conference on Systems, Man, and Cybernetics (SMC).

[3]  Erol Gelenbe,et al.  An Energy Packet Network model for mobile networks with energy harvesting , 2018 .

[4]  Erol Gelenbe,et al.  Parallel Algorithm for Colour Texture Generation Using the Random Neural Network Model , 1992, Int. J. Pattern Recognit. Artif. Intell..

[5]  D. Dix,et al.  The ToxCast program for prioritizing toxicity testing of environmental chemicals. , 2007, Toxicological sciences : an official journal of the Society of Toxicology.

[6]  Erol Gelenbe,et al.  Adaptive Dispatching of Tasks in the Cloud , 2015, IEEE Transactions on Cloud Computing.

[7]  Jean-Michel Fourneau,et al.  Modeling Energy Packets Networks in the Presence of Failures , 2016, 2016 IEEE 24th International Symposium on Modeling, Analysis and Simulation of Computer and Telecommunication Systems (MASCOTS).

[8]  Erol Gelenbe,et al.  Single-cell based random neural network for deep learning , 2017, 2017 International Joint Conference on Neural Networks (IJCNN).

[9]  Erol Gelenbe,et al.  Stability of Product Form G-Networks , 1992 .

[10]  M. Hewitt,et al.  Assessing Applicability Domains of Toxicological QSARs: Definition, Confidence in Predicted Values, and the Role of Mechanisms of Action , 2007 .

[11]  Robert J Kavlock,et al.  Predictive models of prenatal developmental toxicity from ToxCast high-throughput screening data. , 2011, Toxicological sciences : an official journal of the Society of Toxicology.

[12]  Erol Gelenbe,et al.  Traffic and video quality with adaptive neural compression , 1996, Multimedia Systems.

[13]  Nitesh V. Chawla,et al.  SMOTE: Synthetic Minority Over-sampling Technique , 2002, J. Artif. Intell. Res..

[14]  Erol Gelenbe,et al.  Queues with negative arrivals , 1991, Journal of Applied Probability.

[15]  Richard S. Judson,et al.  Binary Classification of a Large Collection of Environmental Chemicals from Estrogen Receptor Assays by Quantitative Structure-Activity Relationship and Machine Learning Methods , 2013, J. Chem. Inf. Model..

[16]  Erol Gelenbe,et al.  Deep Learning with Dense Random Neural Networks , 2017, ICMMI.

[17]  Erol Gelenbe,et al.  Central or distributed energy storage for processors with energy harvesting , 2015, 2015 Sustainable Internet and ICT for Sustainability (SustainIT).

[18]  CHUN WEI YAP,et al.  PaDEL‐descriptor: An open source software to calculate molecular descriptors and fingerprints , 2011, J. Comput. Chem..

[19]  Erol Gelenbe,et al.  Steps toward self-aware networks , 2009, CACM.

[20]  Erol Gelenbe,et al.  Energy Packet Networks With Energy Harvesting , 2016, IEEE Access.

[21]  Haseong Kim,et al.  Stochastic Gene Expression Modeling with Hill Function for Switch-Like Gene Responses , 2010, IEEE/ACM Transactions on Computational Biology and Bioinformatics.

[22]  Erol Gelenbe,et al.  Random Neural Networks with Synchronized Interactions , 2008, Neural Computation.

[23]  Erol Gelenbe,et al.  Big Data for Autonomic Intercontinental Overlays , 2016, IEEE Journal on Selected Areas in Communications.

[24]  Fernando Nogueira,et al.  Imbalanced-learn: A Python Toolbox to Tackle the Curse of Imbalanced Datasets in Machine Learning , 2016, J. Mach. Learn. Res..

[25]  Stephen Kwek,et al.  Applying Support Vector Machines to Imbalanced Datasets , 2004, ECML.

[26]  Erol Gelenbe,et al.  Video quality and traffic QoS in learning-based subsampled and receiver-interpolated video sequences , 2000, IEEE Journal on Selected Areas in Communications.

[27]  Katsumi Inoue,et al.  Relational Reinforcement Learning for Planning with Exogenous Effects , 2017 .

[28]  Dongsheng Guo,et al.  Cross-validation based weights and structure determination of Chebyshev-polynomial neural networks for pattern classification , 2014, Pattern Recognit..

[29]  Erol Gelenbe,et al.  Learning in Genetic Algorithms , 1998, ICES.

[30]  Erol Gelenbe,et al.  G-Networks with Adders , 2017, Future Internet.

[31]  Erol Gelenbe,et al.  A Framework for Energy-Aware Routing in Packet Networks , 2011, Comput. J..

[32]  Erol Gelenbe G-Networks with Signals and Batch Removal , 1993 .

[33]  C. Hansch Quantitative structure-activity relationships and the unnamed science , 1993 .

[34]  Erol Gelenbe,et al.  Neural network methods for volumetric magnetic resonance imaging of the human brain , 1996 .

[35]  David M. Reif,et al.  Profiling Chemicals Based on Chronic Toxicity Results from the U.S. EPA ToxRef Database , 2008, Environmental health perspectives.

[36]  Erol Gelenbe,et al.  Interconnected Wireless Sensors with Energy Harvesting , 2015, ASMTA.

[37]  Erol Gelenbe,et al.  Machine Learning to Predict Toxicity of Compounds , 2018, ICANN.

[38]  Erol Gelenbe,et al.  Aligning protein-protein interaction networks using random neural networks , 2012, 2012 IEEE International Conference on Bioinformatics and Biomedicine.

[39]  Erol Gelenbe,et al.  Area-based results for mine detection , 2000, IEEE Trans. Geosci. Remote. Sens..

[40]  Erol Gelenbe,et al.  Optimizing Secure SDN-Enabled Inter-Data Centre Overlay Networks through Cognitive Routing , 2016, 2016 IEEE 24th International Symposium on Modeling, Analysis and Simulation of Computer and Telecommunication Systems (MASCOTS).

[41]  Zhi-Hong Mao,et al.  Function approximation with spiked random networks , 1999, IEEE Trans. Neural Networks.

[42]  Seetha Hari,et al.  Learning From Imbalanced Data , 2019, Advances in Computer and Electrical Engineering.

[43]  Erol Gelenbe,et al.  Deep learning with random neural networks , 2016, 2016 International Joint Conference on Neural Networks (IJCNN).

[44]  E Gelenbe,et al.  Oscillatory corticothalamic response to somatosensory input. , 1998, Bio Systems.

[45]  Erol Gelenbe Réseaux neuronaux aléatoires stables , 1990 .

[46]  Erol Gelenbe,et al.  Learning in the Recurrent Random Neural Network , 1992, Neural Computation.

[47]  Erol Gelenbe,et al.  Energy packet networks: adaptive energy management for the cloud , 2012, CloudCP '12.

[48]  Michael B. Black,et al.  A comprehensive statistical analysis of predicting in vivo hazard using high-throughput in vitro screening. , 2012, Toxicological sciences : an official journal of the Society of Toxicology.

[49]  Erol Gelenbe,et al.  Steady-state solution of probabilistic gene regulatory networks. , 2007, Physical review. E, Statistical, nonlinear, and soft matter physics.

[50]  Erol Gelenbe,et al.  Towards a cognitive routing engine for software defined networks , 2016, 2016 IEEE International Conference on Communications (ICC).

[51]  Erol Gelenbe,et al.  Demonstrating cognitive packet network resilience to worm attacks , 2010, CCS '10.

[52]  David M. Reif,et al.  Predictive Model of Rat Reproductive Toxicity from ToxCast High Throughput Screening1 , 2011, Biology of reproduction.

[53]  Tianqi Chen,et al.  XGBoost: A Scalable Tree Boosting System , 2016, KDD.

[54]  Erol Gelenbe Stability of the Random Neural Network Model , 1990, EURASIP Workshop.

[55]  Igor I Baskin,et al.  Machine Learning Methods in Computational Toxicology. , 2018, Methods in molecular biology.

[56]  J. Friedman Greedy function approximation: A gradient boosting machine. , 2001 .

[57]  Chris Morley,et al.  Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit , 2008, Chemistry Central journal.

[58]  Erol Gelenbe,et al.  Product-form queueing networks with negative and positive customers , 1991, Journal of Applied Probability.

[59]  E. Gelenbe G-networks by triggered customer movement , 1993 .

[60]  Erol Gelenbe,et al.  A class of genetic algorithms with analytical solution , 1997, Robotics Auton. Syst..

[61]  Erol Gelenbe,et al.  Deep Learning with Dense Random Neural Networks for Detecting Attacks Against IoT-Connected Home Environments , 2018, Euro-CYBERSEC.

[62]  David Rogers,et al.  Extended-Connectivity Fingerprints , 2010, J. Chem. Inf. Model..