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. 2015 Mar 6;5:8809. doi: 10.1038/srep08809

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Panels (4a) and (4b): AUROC values in training and test sets using different algorithms in the 10 selected ADEs along with a global model including the 10 endpoints (algorithms: maximum similarity against the positive controls, difference between the maximum similarity against positive and negative controls, and average similarity against the positive controls). Panels (4c) and (4d): AUROC results in training and test sets for the 3D, 2D MACCS and QSAR modeling in the selected ADEs along with a global model including the 10 endpoints. The 10 selected ADEs are: allergic contact dermatitis, extrapyramidal symptoms, hyperpyrexia, hypertrichosis, increased intraocular pressure, malignant syndrome, mydriasis, paralytic ileus, pseudotumor cerebri and tardive dyskinesia.