Research Article

toxFlow: a Web-Based Application for Read-Across Toxicity Prediction using Omics and Physicochemical Data

Dimitra Danai Varsou1, Penny Nymark2,3, Pekka Kohonen2,3, Roland Grafström2,3, Haralambos Sarimveis1

1National Technical University of Athens, Athens, Greece, 2Karolinska Institutet, Stockholm, Sweden, 3Misvik Biology Oy, Turku, Finland

PLOS Published: 27 December 2017
DOI: 10.1021/acs.jcim.7b00160


We present toxFlow, a web-application developed for enrichment analysis of omics data coupled with read-across toxicity prediction.

A sequential analysis workflow is suggested where users can filter omics data using enrichment scores and incorporate their findings into a correlation-based read-across technique for predicting the toxicity of a substance based on its analogs. Either embedded or in-house gene signature libraries can be used for enrichment analysis.

The suggested approach can be used for toxicity prediction of diverse chemical entities, however this article focuses on the multi-perspective characterization of nanoparticles and selects their neighbors based on both physicochemical and biological similarity criteria. In addition, visualization options are offered to interactively explore correlation patterns in the data, whereas results can be exported for further analysis.

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