0000000000586226

AUTHOR

Monika Batke

showing 2 related works from this author

Optimization of curation of the dataset with data on repeated dose toxicity

2015

Introduction: For some areas of risk assessment, the use of alter-native methods is supported by current directives and guidance(e.g. REACH, Cosmetics, BPD, PPP). According to OECD principles alternative methods need to be scientifically valid. Methods: Within a project on grouping and development of predictive models sup-ported by a grant of Federal Ministry of Education and Research, we curated a dataset based on RepDose and ELINCS database. The final dataset consists of rat repeated dose toxicity studies for 1022 com-pounds representing 28 endpoints as organ-effect-combinations. Toxicological and modelling experts did jointly the curation and selection of endpoints as an iterative proces…

business.industryToxicityMedicineGeneral MedicineToxicologyBioinformaticsbusinessToxicology Letters
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Innovative Strategies to Develop Chemical Categories Using a Combination of Structural and Toxicological Properties.

2016

Interest is increasing in the development of non-animal methods for toxicological evaluations. These methods are however, particularly challenging for complex toxicological endpoints such as repeated dose toxicity. European Legislation, e.g., the European Union's Cosmetic Directive and REACH, demands the use of alternative methods. Frameworks, such as the Read-across Assessment Framework or the Adverse Outcome Pathway Knowledge Base, support the development of these methods. The aim of the project presented in this publication was to develop substance categories for a read-across with complex endpoints of toxicity based on existing databases. The basic conceptual approach was to combine str…

0301 basic medicineQuantitative structure–activity relationshipread acrossPredictive Clustering Tree (PCT) methodComputer science610010501 environmental sciencescomputer.software_genre600 Technik Medizin angewandte Wissenschaften::610 Medizin und Gesundheit01 natural sciences03 medical and health sciencesPharmacology (medical)Cluster analysis0105 earth and related environmental sciencesOriginal ResearchAlternative methodsPharmacologytoxicological and structural similaritybusiness.industryQSARlcsh:RM1-950non-animal methods; QSAR; readacross; Predictive Clustering Tree (PCT) method; toxicological and structural similarityIdentification (information)Tree (data structure)030104 developmental biologyConceptual approachlcsh:Therapeutics. PharmacologyKnowledge basenon-animal methodsData miningWeb servicebusinesscomputerFrontiers in pharmacology
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