DARTpaths, an in silico platform to investigate molecular mechanisms of compounds
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Publication date
2023-01-01
Authors
Bhalla, Diksha
Steijaert, Marvin N
Poppelaars, Eefje S
Teunis, Marc
van der Voet, Monique
Corradi, Marie
Dévière, Elisabeth
Noothout, Luke
Tomassen, Wilco
Rooseboom, Martijn
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Article
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Abstract
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.
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Bhalla, D, Steijaert, M N, Poppelaars, E S, Teunis, M, van der Voet, M, Corradi, M, Dévière, E, Noothout, L, Tomassen, W, Rooseboom, M, Currie, R A, Krul, C, Pieters, R, van Noort, V & Wildwater, M 2023, 'DARTpaths, an in silico platform to investigate molecular mechanisms of compounds', Bioinformatics, vol. 39, no. 1, btac767, pp. 1-3. https://doi.org/10.1093/bioinformatics/btac767