ApisTox

Donated on 4/23/2024

ApisTox is a 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. Code used to produce the dataset is available at https://github.com/j-adamczyk/apis_tox_dataset

Dataset Characteristics

Other

Subject Area

Biology

Associated Tasks

Classification

Feature Type

-

# Instances

1035

# Features

13

Dataset Information

Has Missing Values?

No

Introductory Paper

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

By Jakub Adamczyk, Jakub Poziemski, Paweł Siedlecki. 2024

Published in arXiv

Variables Table

Variable NameRoleTypeDescriptionUnitsMissing Values
nameFeatureCategoricalno
CIDFeatureIntegerno
CASFeatureCategoricalno
SMILESFeatureCategoricalno
sourceFeatureCategoricalno
yearFeatureIntegerno
toxicity_typeFeatureCategoricalno
herbicideFeatureBinaryno
fungicideFeatureBinaryno
insecticideFeatureBinaryno

0 to 10 of 13

Additional Variable Information

Class Labels

Binary labels ("label" column, using EPA methodology): 0 - non-toxic 1 - toxic Ternary level ("ppdb_level" column, using PPDB methodology): 0 - non-toxic 1 - moderately toxic 2 - highly toxic

Dataset Files

FileSize
dataset_final.csv131.9 KB

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1 citations
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Creators

Jakub Adamczyk

jadamczy@agh.edu.pl

AGH University of Krakow

Jakub Poziemski

Institute of Biochemistry and Biophysics Polish Academy of Sciences

Paweł Siedlecki

Institute of Biochemistry and Biophysics Polish Academy of Sciences

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