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

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 a...

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Detalles Bibliográficos
Autores principales: Bhalla, Diksha, Steijaert, Marvin N, Poppelaars, Eefje S, Teunis, Marc, van der Voet, Monique, Corradi, Marie, Dévière, Elisabeth, Noothout, Luke, Tomassen, Wilco, Rooseboom, Martijn, Currie, Richard A, Krul, Cyrille, Pieters, Raymond, van Noort, Vera, Wildwater, Marjolein
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2022
Materias:
Applications Note
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9825785/
https://www.ncbi.nlm.nih.gov/pubmed/36477801
http://dx.doi.org/10.1093/bioinformatics/btac767
Descripción
Sumario: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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