Automating Knowledge Discovery for Toxicity Prediction Using Jumping Emerging Pattern Mining

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Automating Knowledge Discovery for Toxicity Prediction Using Jumping Emerging Pattern Mining

The design of new alerts, that is, collections of structural features observed to result in toxicological activity, can be a slow process and may require significant input from toxicology and chemistry experts. A method has therefore been developed to help automate alert identification by mining descriptions of activating structural features directly from toxicity data sets. The method is based...

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Knowledge-based systems for toxicity prediction are typically based on rules, known as structural alerts, that describe relationships between structural features and different toxic effects. The identification of structural features associated with toxicological activity can be a time-consuming process and often requires significant input from domain experts. Here, we describe an emerging patte...

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ژورنال

عنوان ژورنال: Journal of Chemical Information and Modeling

سال: 2012

ISSN: 1549-9596,1549-960X

DOI: 10.1021/ci300254w