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Figure 2 | Journal of Cheminformatics

Figure 2

From: Template-based combinatorial enumeration of virtual compound libraries for lipids

Figure 2

Lipid categories amenable to the combinatorial enumeration of virtual compound libraries. Lipid structure for each category is color coded to highlight chain, backbone and head group. Virtual libraries are generated from the specific lipid abbreviations by the combinatorial enumeration of all possible chains and head groups at various attachment points on the backbone. The lipid abbreviation format is shown below the structures. The format consists of the specification for chains along with the head group. The chain specification allows usage of * (asterisk) as a wild card character to indicate any chain length and number of double bonds along with their geometry during the generation of virtual libraries.

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