In EDS ansehen

An Integrated Testing Strategy and Online Tool for Assessing Skin Sensitization of Agrochemical Formulations.

Gespeichert in:
Bibliographische Detailangaben
Titel: An Integrated Testing Strategy and Online Tool for Assessing Skin Sensitization of Agrochemical Formulations.
Autoren: Kan, Hung-Lin, Wang, Shan-Shan, Liao, Chun-Lin, Tsai, Wei-Ren, Wang, Chia-Chi, Tung, Chun-Wei
Quelle: Toxics; Dec2024, Vol. 12 Issue 12, p936, 13p
Schlagwörter: SENSITIZATION (Neuropsychology), MACHINE learning, DECISION making, HAZARDS, CLASSIFICATION
Abstract: Non-animal assessment of skin sensitization is a global trend. Recently, scientific efforts have been focused on the integration of multiple evidence for decision making with the publication of OECD Guideline No. 497 for defined approaches to skin sensitization. The integrated testing strategy (ITS) methods reported by the guideline integrates in chemico, in vitro, and in silico testing to assess both hazard and potency of skin sensitization. The incorporation of in silico methods achieved comparable performance with fewer experiments compared to the traditional two-out-of-three (2o3) method. However, the direct application of current ITSs to agrochemicals can be problematic due to the lack of agrochemicals in the training data of the incorporated in silico methods. To address the issue, we present ITS-SkinSensPred 2.0 for agrochemicals and agrochemical formulations using a reconfigured in silico model SkinSensPred for pesticides. Compared to ITSv2, the proposed ITS-SkinSensPred 2.0 achieved an 11% and 16% improvement in the accuracy and correct classification rate for hazard identification and potency classification, respectively. In addition, an online ITS tool was implemented and available on the SkinSensDB website. The tool is expected to be useful for evaluating skin sensitization of substances. [ABSTRACT FROM AUTHOR]
Copyright of Toxics is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Datenbank: Complementary Index
Beschreibung
Abstract:Non-animal assessment of skin sensitization is a global trend. Recently, scientific efforts have been focused on the integration of multiple evidence for decision making with the publication of OECD Guideline No. 497 for defined approaches to skin sensitization. The integrated testing strategy (ITS) methods reported by the guideline integrates in chemico, in vitro, and in silico testing to assess both hazard and potency of skin sensitization. The incorporation of in silico methods achieved comparable performance with fewer experiments compared to the traditional two-out-of-three (2o3) method. However, the direct application of current ITSs to agrochemicals can be problematic due to the lack of agrochemicals in the training data of the incorporated in silico methods. To address the issue, we present ITS-SkinSensPred 2.0 for agrochemicals and agrochemical formulations using a reconfigured in silico model SkinSensPred for pesticides. Compared to ITSv2, the proposed ITS-SkinSensPred 2.0 achieved an 11% and 16% improvement in the accuracy and correct classification rate for hazard identification and potency classification, respectively. In addition, an online ITS tool was implemented and available on the SkinSensDB website. The tool is expected to be useful for evaluating skin sensitization of substances. [ABSTRACT FROM AUTHOR]
ISSN:23056304
DOI:10.3390/toxics12120936