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Modeling biological effects of molecules using molecular property models
Modeling biological effects of molecules using molecular property models
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机译:使用分子特性模型对分子的生物学效应进行建模
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摘要
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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