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Table 3 Top 5 highest-weighted human target descriptors in the linear discriminant analysis projection used to discriminate between binarized toxic and nontoxic classes

From: Leveraging heterogeneous data from GHS toxicity annotations, molecular and protein target descriptors and Tox21 assay readouts to predict and rationalise acute toxicity

Uniprot Protein Class Weight (absolute) Relevant function [Associated pathologies] Refs.
Q9UQL6 Histone deacetylase 5 Hydrolase 5.45 Chromatin organisation [Negative regulation of cell cycle/apoptosis] [52]
Q9UBN7 Histone deacetylase 6 Hydrolase 5.19 Chromatin organisation [Negative regulation of cell cycle/apoptosis] [53]
P41145 Kappa-type opioid receptor   3.02 Central to nerutotranmitter activity i.e.—acetylcholine transport
GPCR not the most toxic—could link it to pain [n/a] 		 
P43220 Glucagon-like peptide 1 receptor   2.60 Activation of cell proliferation [apoptosis] [54]
P11473 Vitamin D3 receptor Nuclear hormone receptor 2.20 Ca2+ signalling [negative regulation of cell proliferation] [51]
  1. The relevance of these targets to toxicity is explored in the text
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Journal of Cheminformatics

ISSN: 1758-2946

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