LiverTox: Advanced QSAR and Toxicogeomic Software for Hepatotoxicity Prediction

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YAHSGS LLC and Oak Ridge National Laboratory (ORNL) established a CRADA in an attempt to develop a predictive system using a pre-existing ORNL computational neural network and wavelets format. This was in the interest of addressing national needs for toxicity prediction system to help overcome the significant drain of resources (money and time) being directed toward developing chemical agents for commerce. The research project has been supported through an STTR mechanism and funded by the National Institute of Environmental Health Sciences beginning Phase I in 2004 (CRADA No. ORNL-04-0688) and extending Phase II through 2007 (ORNL NFE-06-00020). To attempt the ... continued below

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Lu, P-Y. & Yuracko, K. (YAHSGS, LLC) February 25, 2011.

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This report is part of the collection entitled: Office of Scientific & Technical Information Technical Reports and was provided by UNT Libraries Government Documents Department to Digital Library, a digital repository hosted by the UNT Libraries. It has been viewed 31 times , with 8 in the last month . More information about this report can be viewed below.

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  • Oak Ridge National Laboratory
    Publisher Info: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
    Place of Publication: Oak Ridge, Tennessee

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Description

YAHSGS LLC and Oak Ridge National Laboratory (ORNL) established a CRADA in an attempt to develop a predictive system using a pre-existing ORNL computational neural network and wavelets format. This was in the interest of addressing national needs for toxicity prediction system to help overcome the significant drain of resources (money and time) being directed toward developing chemical agents for commerce. The research project has been supported through an STTR mechanism and funded by the National Institute of Environmental Health Sciences beginning Phase I in 2004 (CRADA No. ORNL-04-0688) and extending Phase II through 2007 (ORNL NFE-06-00020). To attempt the research objectives and aims outlined under this CRADA, state-of-the-art computational neural network and wavelet methods were used in an effort to design a predictive toxicity system that used two independent areas on which to base the system’s predictions. These two areas were quantitative structure-activity relationships and gene-expression data obtained from microarrays. A third area, using the new Massively Parallel Signature Sequencing (MPSS) technology to assess gene expression, also was attempted but had to be dropped because the company holding the rights to this promising MPSS technology went out of business. A research-scale predictive toxicity database system called Multi-Intelligent System for Toxicogenomic Applications (MISTA) was developed and its feasibility for use as a predictor of toxicological activity was tested. The fundamental focus of the CRADA was an attempt and effort to operate the MISTA database using the ORNL neural network. This effort indicated the potential that such a fully developed system might be used to assist in predicting such biological endpoints as hepatotoxcity and neurotoxicity. The MISTA/LiverTox approach if eventually fully developed might also be useful for automatic processing of microarray data to predict modes of action. A technical paper describing the methods and technology used in the CRADA has been published. This paper was entitled “A Toxicity Evaluation and Predictive System Based on Neural Networks and Wavelets” and appeared in an American Chemical Society peer-reviewed publication this year (J. Chem. Inf. Model. 47: 676685, 2007). A patent application was filed but later abandoned.

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  • Report No.: NFE-06-00020
  • Grant Number: DE-AC05-00OR22725
  • DOI: 10.2172/1006280 | External Link
  • Office of Scientific & Technical Information Report Number: 1006280
  • Archival Resource Key: ark:/67531/metadc843080

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  • February 25, 2011

Added to The UNT Digital Library

  • May 19, 2016, 3:16 p.m.

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  • Aug. 3, 2016, 4:04 p.m.

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Lu, P-Y. & Yuracko, K. (YAHSGS, LLC). LiverTox: Advanced QSAR and Toxicogeomic Software for Hepatotoxicity Prediction, report, February 25, 2011; Oak Ridge, Tennessee. (digital.library.unt.edu/ark:/67531/metadc843080/: accessed September 23, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.