DARTpaths, an in silico platform to investigate molecular mechanisms of compounds.

Autor:	Bhalla D; Centre of Microbial and Plant Genetics, Faculty of Bioscience Engineering, KU Leuven, Leuven 3001, Belgium., Steijaert MN; Open Analytics, Antwerp 2600, Belgium., Poppelaars ES; Vivaltes, Bunnik 3981 LA, The Netherlands., Teunis M; Innovative Testing in Life Sciences & Chemistry, Utrecht University of Applied Sciences, Utrecht 3584 CH, The Netherlands., van der Voet M; Vivaltes, Bunnik 3981 LA, The Netherlands., Corradi M; Innovative Testing in Life Sciences & Chemistry, Utrecht University of Applied Sciences, Utrecht 3584 CH, The Netherlands., Dévière E; Open Analytics, Antwerp 2600, Belgium., Noothout L; CLEVER FRANKE, Utrecht 3512 CC, The Netherlands., Tomassen W; CLEVER FRANKE, Utrecht 3512 CC, The Netherlands., Rooseboom M; Toxicology Group, Shell Global Solutions International B.V., The Hague 2596 HR, the Netherlands., Currie RA; Predictive and Computational Toxicology, Syngenta, Jealott's Hill International Research Centre, Bracknell, Berkshire RG42 6EY, UK., Krul C; Innovative Testing in Life Sciences & Chemistry, Utrecht University of Applied Sciences, Utrecht 3584 CH, The Netherlands., Pieters R; Innovative Testing in Life Sciences & Chemistry, Utrecht University of Applied Sciences, Utrecht 3584 CH, The Netherlands.; Utrecht University, Institute for Risk Assessment Sciences, Utrecht 3584 CM, The Netherlands., van Noort V; Centre of Microbial and Plant Genetics, Faculty of Bioscience Engineering, KU Leuven, Leuven 3001, Belgium.; Leiden University, Institute of Biology Leiden, Leiden 2333 BE, The Netherlands., Wildwater M; Vivaltes, Bunnik 3981 LA, The Netherlands.
Jazyk:	angličtina
Zdroj:	Bioinformatics (Oxford, England) [Bioinformatics] 2023 Jan 01; Vol. 39 (1).
DOI:	10.1093/bioinformatics/btac767
Abstrakt:	Summary: Xpaths is a collection of algorithms that allow for the prediction of compound-induced molecular mechanisms of action by integrating phenotypic endpoints of different species; and proposes follow-up tests for model organisms to validate these pathway predictions. The Xpaths algorithms are applied to predict developmental and reproductive toxicity (DART) and implemented into an in silico platform, called DARTpaths. Availability and Implementation: All code is available on GitHub https://github.com/Xpaths/dartpaths-app under Apache license 2.0, detailed overview with demo is available at https://www.vivaltes.com/dartpaths/. Supplementary Information: Supplementary data are available at Bioinformatics online. (© The Author(s) 2022. Published by Oxford University Press.)
Databáze:	MEDLINE
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