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. 2018 Jul 23;8(3):42. doi: 10.3390/metabo8030042

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© 2018 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

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Correlation between measured and predicted reproductive output for individual D. magna, the latter derived from forward-selected PLS-R models built using the metabolomics datasets, following chronic exposure to (A) Cd, (B) DNP and (C) propranolol, including lines of best fit. The cross-validated R² values are 0.935 for Cd (561 peaks, 2 LVs), 0.945 for DNP (306 peaks, 3LVs) and 0.893 for propranolol (606 peaks, 3LVs); p = < 0.001 in all cases. Classes comprise of control (▲), Low dose (■), medium dose (●) and high dose(s) (◆).