Data from: Identification of any structure-specific hepatotoxic potential of different pyrrolizidine alkaloids using Random Forest and artificial Neural Network

Schöning V, Hammann F, Peinl M, Ewe J

Date Published: September 5, 2017

DOI: https://doi.org/10.5061/dryad.qn7d3

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Title Supplementary 1
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Description Information on the substructure search performed in PubChem to obtain the PA dataset
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Title Supplementary 2
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Description Applicability domain of the DILI and the PA dataset, showing the four first principal components (PC1 – PC4)
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When using this data, please cite the original publication:

Schöning V, Hammann F, Peinl M, Drewe J (2017) Identification of any structure-specific hepatotoxic potential of different pyrrolizidine alkaloids using Random Forest and artificial Neural Network. Toxicological Sciences, online in advance of print. https://doi.org/10.1093/toxsci/kfx187

Additionally, please cite the Dryad data package:

Schöning V, Hammann F, Peinl M, Ewe J (2017) Data from: Identification of any structure-specific hepatotoxic potential of different pyrrolizidine alkaloids using Random Forest and artificial Neural Network. Dryad Digital Repository. https://doi.org/10.5061/dryad.qn7d3
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