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. Author manuscript; available in PMC: 2022 Feb 22.
Published in final edited form as: J Chem Inf Model. 2021 Feb 3;61(2):653–663. doi: 10.1021/acs.jcim.0c01164

Figure 1.

Figure 1.

Two-dimensional PCA plot for the complete dataset based on Avalon fingerprints. The color scale represents the median toxicity value of the compounds against different endpoints in −log(mol/kg), i.e., the higher the values, the more toxic the compounds.