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. Author manuscript; available in PMC: 2023 Jun 12.
Published in final edited form as: Comput Toxicol. 2021 Aug 1;19:1–12. doi: 10.1016/j.comtox.2021.100171

Fig. 3.

Fig. 3.

Case Example of GenRA Neighborhood Using Biological, Chemical, and Hybrid Descriptors with the Target Chemical Diethyl phthalate and Cluster 80 Chemicals. The target chemical, anilazine lies in the center of each neighborhood. (A) Numbers in the center represent the pairwise biological (gene-level) similarity scores. (B) Numbers in the center represent the pairwise chemical structure (Morgan) similarity scores. (C) Numbers in the center represent the pairwise hybrid (Morgan H-Gene) similarity scores. (D) Overall summary of cluster-80 untargeted toxicity AUC performance scores for each descriptor.