Search results for "toxicological and structural similarity"

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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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