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DeepTox specifications


Unique identifier OMICS_27077
Name DeepTox
Software type Pipeline/Workflow
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux
Computer skills Advanced
Stability Stable
Maintained Yes


No version available


  • person_outline Sepp Hochreiter

Publication for DeepTox

DeepTox citations


Opportunities and obstacles for deep learning in biology and medicine

PMCID: 5938574
PMID: 29618526
DOI: 10.1098/rsif.2017.0387

[…] cts of jointly modelling far more targets than the Merck challenge [,], with Ramsundar et al. [] showing that the benefits of multi-task networks had not yet saturated even with 259 targets. Although DeepTox [], a deep learning approach, won another competition, the Toxicology in the 21st Century (Tox21) Data Challenge, it did not dominate alternative methods as thoroughly as in other domains. Dee […]


In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts

PMCID: 5826228
PMID: 29515993
DOI: 10.3389/fchem.2018.00030

[…] d the best performance in the test set was 0.84 and 0.79, respectively (Chen et al., ). The Tox21 project also includes nuclear receptors assays which involve more diverse compounds (Hsieh et al., ). DeepTox, the winner of the “Tox21 Data Challenge,” used deep neural network and obtained an excellent performance against other machine learning methods such as SVM (Mayr et al., ).Previous studies on […]


ToxiM: A Toxicity Prediction Tool for Small Molecules Developed Using Machine Learning and Chemoinformatics Approaches

Front Pharmacol
PMCID: 5714866
PMID: 29249969
DOI: 10.3389/fphar.2017.00880

[…] be exploited for the prediction of toxicity of a given molecule, the determination of which is an important and challenging task. At present, feature-based methods such as ToxiPred (Mishra et al., ), DeepTox (Mayr et al., ) are available for the prediction of toxicity (Cheng et al., ). Another tool is admetSAR, a freely available tool which uses various classification and regression models for the […]


A review of computational tools for design and reconstruction of metabolic pathways

PMCID: 5851934
PMID: 29552648
DOI: 10.1016/j.synbio.2017.11.002

[…] pproaches include a scoring system based on assessing the toxicity of intermediate metabolites of a pathway in a host cell , . For example, a database like Tox21 and a deep learning based algorithm (DeepTox) have been applied to identify potentially toxic effects of chemical compounds. The selection of pathway ranking method(s) depends on the design goal. For example, in order to design a pathwa […]


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DeepTox institution(s)
Institute of Bioinformatics, Johannes Kepler University Linz, Linz, Austria; RISC Software GmbH, Johannes Kepler University Linz, Hagenberg, Austria
DeepTox funding source(s)
Supported by ChemBioBridge and MrSymBioMath.

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