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. Author manuscript; available in PMC: 2020 Jan 24.
Published in final edited form as: Food Chem Toxicol. 2018 May 9;118:328–339. doi: 10.1016/j.fct.2018.05.013

Table 3.

Strength-of-evidence summary. For each measured endpoint in each data stream samples were classified as “similar” to the reference sample - GBE 1 (green color, value of 1), “different” from the reference (red color, value of −1) or “maybe similar” to the reference (yellow color, value of 0).

Data stream Endpoint A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
Untargeted chemistry Unhydrolyzed samples −1 −1 −1 −1 −1 −1 −1 −1 −1 −1 0 0 −1 −1 −1 −1 −1 −1 −1 0 1 1 1 1 1 1
Untargeted chemistry Hydrolyzed samples −1 −1 −1 −1 −1 −1 −1 −1 0 0 0 0 0 0 0 −1 0 0 0 0 1 1 1 1 1 1
Untargeted chemistry score −1 −1 −1 −1 −1 −1 −1 −1 −0.5 −0.5 0 0 −0.5 −0.5 −0.5 −1 −0.5 −0.5 −0.5 0 1 1 1 1 1 1
Targeted chemistry Unhydrolyzed −1 −1 −1 0 0 −1 −1 −1 0 0 0 0 −1 0 0 0 0 0 0 0 0 −1 1 1 1 1
1
Targeted chemistry Hydrolyzed −1 −1 −1 1 1 −1 −1 −1 0 0 1 0 −1 1 0 1 1 1 0 1 0 0 0 0 0 0
1
Targeted chemistry score −1 −1 −1 0.5 0.5 −1 −1 −1 0 0 0.5 0 −1 0.5 0 0.5 0.5 0.5 0 0.5 0.5 −0.5 0.5 0.5 0.5 0.5
SC-PHH gene expression −1 −1 −1 1 1 −1 −1 −1 1 1 1 1 −1 1 1 1 1 1 1 1 1 1 0 1 1 1
SC-PHH score −1 −1 −1 1 1 −1 −1 −1 1 1 1 1 −1 1 1 1 1 1 1 1 1 1 0 1 1 1
Attagene Cis-factorial assay −1 −1 −1 1 1 −1 −1 −1 1 0 0 0 −1 −1 0 0 1 1 0 0 0 −1 1 1 1 1
Attagene Trans-factorial assay 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 −1 0 1 1
Attagene GPCR assay 0 0 0 −1 −1 0 0 0 −1 1 1 1 1 1 −1 −1 −1 −1 −1 1 1 0 −1 0 0 0
Attagene score −0.3 −0.3 −0.3 0.0 0.0 −0.3 −0.3 −0.3 0.0 0.3 0.3 0.3 0.3 0.3 −0.3 −0.3 0.0 0.0 −0.3 0.3 0.3 −0.3 −0.3 0.3 0.7 0.7
In vivo 5-day studies −1 1 −1 1
In vivo score −1 1 −1 1
Overall similarity score −0.8 −0.8 −0.8 0.1 0.1 −0.8 −0.9 −0.8 0.1 0.2 0.5 0.3 −0.5 0.5 0.0 −0.2 0.3 0.3 0.0 0.6 0.7 0.3 0.3 0.7 0.8 0.8

Abbreviations: SC-PHH (Sandwich cultures of primary human hepatocytes); GPCR (G-protein coupled receptor)

a

Samples containing a single peak or no discernable peaks were excluded from multifactorial analysis of samples and were categorized as “different” from the reference GBE.

b

Sample U was included in two separate targeted chemistry analyses, resulting in two data sets for the sample. These runs resulted in a determination of “maybe similar” and “similar” to the reference. Other samples were run twice in various assays, but did not result in any differences in categorization, so a single value was included for simplicity.