Skip to main content
. 2024 Oct 1;6:1452838. doi: 10.3389/ftox.2024.1452838

FIGURE 3.

FIGURE 3

Creation of a virtual chemical library of naphthenic acids. Through two enumeration steps, 26 alkyl chains (middle) and 15 alkyl chains with carboxylic acids (bottom) were attached to the eight core rings. The attachment points are indicated by asterisks. The possible combinations of R-groups and ring positions resulted in the derivation of 11,850 unique naphthenic acid structures.