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Title: A Toxicity Evaluation and Predictive System Based on Neural Networks and Wavelets

Abstract

A computational approach has been developed for performing efficient and reasonably accurate toxicity evaluation and prediction. The approach is based on computational neural networks linked to modern computational chemistry and wavelet methods. In this paper we present details of this approach and results demonstrating its accuracy and flexibility for predicting diverse biological endpoints including metabolic processes, mode of action, and hepato- and neurotoxicity. The approach also can be used for automatic processing of microarray data to predict modes of action.

Authors:
 [1];  [1];  [2];  [2];  [1];  [2];  [2];  [1];  [2]
  1. ORNL
  2. YAHSGS LLC, Richland, WA
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
Work for Others (WFO)
OSTI Identifier:
931473
DOE Contract Number:  
DE-AC05-00OR22725
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Information and Modeling; Journal Volume: 47; Journal Issue: 2
Country of Publication:
United States
Language:
English
Subject:
97; 59 BASIC BIOLOGICAL SCIENCES; EVALUATION; FORECASTING; NEURAL NETWORKS; TOXICITY; METABOLISM; CALCULATION METHODS; neural network; informatics

Citation Formats

Piotrowski, Pamela L, Sumpter, Bobby G, Malling, Heinrich, Wassom, John, Lu, Po-Yung, Bothers, Robin, Sega, Gary, Martin, Sheryl A, and Parang, Morey. A Toxicity Evaluation and Predictive System Based on Neural Networks and Wavelets. United States: N. p., 2007. Web. doi:10.1021/ci6004788.
Piotrowski, Pamela L, Sumpter, Bobby G, Malling, Heinrich, Wassom, John, Lu, Po-Yung, Bothers, Robin, Sega, Gary, Martin, Sheryl A, & Parang, Morey. A Toxicity Evaluation and Predictive System Based on Neural Networks and Wavelets. United States. doi:10.1021/ci6004788.
Piotrowski, Pamela L, Sumpter, Bobby G, Malling, Heinrich, Wassom, John, Lu, Po-Yung, Bothers, Robin, Sega, Gary, Martin, Sheryl A, and Parang, Morey. Mon . "A Toxicity Evaluation and Predictive System Based on Neural Networks and Wavelets". United States. doi:10.1021/ci6004788.
@article{osti_931473,
title = {A Toxicity Evaluation and Predictive System Based on Neural Networks and Wavelets},
author = {Piotrowski, Pamela L and Sumpter, Bobby G and Malling, Heinrich and Wassom, John and Lu, Po-Yung and Bothers, Robin and Sega, Gary and Martin, Sheryl A and Parang, Morey},
abstractNote = {A computational approach has been developed for performing efficient and reasonably accurate toxicity evaluation and prediction. The approach is based on computational neural networks linked to modern computational chemistry and wavelet methods. In this paper we present details of this approach and results demonstrating its accuracy and flexibility for predicting diverse biological endpoints including metabolic processes, mode of action, and hepato- and neurotoxicity. The approach also can be used for automatic processing of microarray data to predict modes of action.},
doi = {10.1021/ci6004788},
journal = {Journal of Chemical Information and Modeling},
number = 2,
volume = 47,
place = {United States},
year = {Mon Jan 01 00:00:00 EST 2007},
month = {Mon Jan 01 00:00:00 EST 2007}
}