Modeling biological effects of molecules using molecular property models
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United States of America Patent
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Dec 21, 2010
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Dec 14, 2005
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Dec 16, 2004
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Abstract
Method, apparatus, and article of manufacture for modeling the biological effects of a molecule are disclosed. A machine learning application may be configured to process a set of training examples regarding a biological property of interest. Once trained, the machine learning application may be configured to generate a prediction regarding a property of interest for a test molecule. Embodiments of the invention provide a meta-model configured to generate a biological effect prediction for a molecule based on the predictions generated for the test molecule by a plurality of molecular property models.
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