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ApisTox: a new benchmark dataset for the classification of small molecules toxicity on honey bees

2024-04-24 20:35:17
Jakub Adamczyk, Jakub Poziemski, Paweł Siedlecki

Abstract

The global decline in bee populations poses significant risks to agriculture, biodiversity, and environmental stability. To bridge the gap in existing data, we introduce ApisTox, a comprehensive dataset focusing on the toxicity of pesticides to honey bees (Apis mellifera). This dataset combines and leverages data from existing sources such as ECOTOX and PPDB, providing an extensive, consistent, and curated collection that surpasses the previous datasets. ApisTox incorporates a wide array of data, including toxicity levels for chemicals, details such as time of their publication in literature, and identifiers linking them to external chemical databases. This dataset may serve as an important tool for environmental and agricultural research, but also can support the development of policies and practices aimed at minimizing harm to bee populations. Finally, ApisTox offers a unique resource for benchmarking molecular property prediction methods on agrochemical compounds, facilitating advancements in both environmental science and cheminformatics. This makes it a valuable tool for both academic research and practical applications in bee conservation.

Abstract (translated)

全球蜜蜂数量下降对农业、生物多样性以及环境稳定性造成了显著的风险。为了填补现有数据之间的空白,我们引入了ApisTox,一个关注农药对蜜蜂(Apis mellifera)毒性的全面数据集。这个数据集将现有来源的数据进行了整合和利用,提供了一个广泛、一致和经过编目的收集,超越了以前的数据集。ApisTox包含了各种数据,包括化学物质的毒性水平,以及在文献中发布的时间,以及将它们与外部化学数据库连接的标识器。这个数据集可以为环境学和农业研究提供一个重要的工具,但还可以为减少对蜜蜂种群的危害的政策和实践提供支持。最后,ApisTox为研究农业化学化合物分子性质的预测方法提供了一个独特的资源,促进了两者的进步。这使得它成为学术研究和蜜蜂保护实践的有价值的工具。

URL

https://arxiv.org/abs/2404.16196

PDF

https://arxiv.org/pdf/2404.16196.pdf


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