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Knowledge Graph Embedding for Ecotoxicological Effect Prediction

机译:知识图嵌入在生态毒理学效果预测中的应用

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Exploring the effects a chemical compound has on a species takes a considerable experimental effort. Appropriate methods for estimating and suggesting new effects can dramatically reduce the work needed to be done by a laboratory. In this paper we explore the suitability of using a knowledge graph embedding approach for ecotoxicological effect prediction. A knowledge graph has been constructed from publicly available data sets, including a species taxonomy and chemical classification and similarity. The publicly available effect data is integrated to the knowledge graph using ontology alignment techniques. Our experimental results show that the knowledge graph based approach improves the selected baselines.
机译:探索化合物对物种的影响需要大量的实验工作。估计和建议新效应的适当方法可以大大减少实验室需要完成的工作。在本文中,我们探讨了使用知识图嵌入方法进行生态毒理学效果预测的适用性。从公开可用的数据集构建了知识图,包括物种分类学,化学分类和相似性。使用本体对齐技术将可公开获得的效果数据集成到知识图中。我们的实验结果表明,基于知识图的方法可以改善所选基准。

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