PARC models by UT

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The Partnership for the Assessment of Risks from Chemicals (PARC) is EU co-funded project to develop next-generation chemical risk assessment (NGRA) to protect human health and the environment. University of Tartu (UT) partners in number of work-packages and this collection contains machine learning (ML) and artificial intelligence (AI) models derived by within the project.

Kotli, M.; Piir, G.; Maran, U. Predictive Modeling of Pesticides Reproductive Toxicity in Earthworms Using Interpretable Machine-Learning Techniques on Imbalanced Data. ACS Omega 2025, 10, 4732–4744.

Published: Mihkel Kotli, Geven Piir, Uko Maran (2024-10-09)

Abstract: The earthworm is a key indicator species in soil ecosystems. This makes the reproductive toxicity of chemical compounds to earthworms a desired property of determination and makes computational models necessary for descriptive and predictive purposes. Thus, the aim was to develop an advanced Quantitative Structure–Activity Relationship modeling approach for ...

EcoTox Classification PredictFromStructure
Piir, G.; Sild, S.; Maran, U. Interpretable machine learning for the identification of estrogen receptor agonists, antagonists, and binders. Chemosphere 2024, 347, 140671.

Published: Geven Piir, Sulev Sild, Uko Maran (2023-09-14)

Abstract: An abnormal hormonal activity or exposure to endocrine-disrupting chemicals (EDCs) can cause endocrine system malfunction. Among the many interactions EDCs can affect is the disruption of estrogen signalling, which can lead to adverse health effects such as cancer, osteoporosis, neurodegenerative diseases, cardiovascular disease, insulin resistance, and obesity. ...

HumanHealth Classification PredictFromStructure
Kotli, M.; Piir, G.; Maran, U. Pesticide effect on earthworm lethality via interpretable machine learning. J. Hazard Mater. 2023, 461, 132577

Published: Mihkel Kotli, Geven Piir, Uko Maran (2023-08-18)

Abstract: Earthworms are among the most important animals (invertebrates) for soil health. Many chemical substances released into nature for agricultural development, such as pesticides, may have unwanted effects on those organisms. However, it is essential to understand the extent of the impact of chemicals on soil health first and then make the proper ...

EcoTox Classification PredictFromStructure

PARC models by UT

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PARC models by UT

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