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Fig. 1 | Journal of Cheminformatics

Fig. 1

From: KnowTox: pipeline and case study for confident prediction of potential toxic effects of compounds in early phases of development

Fig. 1

Overview of KnowTox. Combining toxicity information from different sources, the complementary outputs of the KnowTox tool help to generate a holistic toxicity prediction picture for a novel query compound. ToxCast Database bar plot: Number of actives (grey) and inactives (blue) available per endpoint, sorted by number of actives. Red vertical line: CP models were built for the endpoints on the left side of the threshold line (at least 300 active and inactive compounds tested, red horizontal line)

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Journal of Cheminformatics

ISSN: 1758-2946

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