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Figure 4 | Journal of Cheminformatics

Figure 4

From: UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers

Figure 4

Using Connectivity Search to alert users of one source to alternative molecular forms of a compound in other resources. The ChEMBL resource utilizes Connectivity Search to alert users to alternative molecular forms of ChEMBL compounds in other sources. The page shown here, reached from a link from the ChEMBL page for CHEMBL15245, gives full details of all alternative stereoisomers, isotopic variants and salt and mixture forms of CHEMBL15245. In this case, the matching data are clustered by source, although clearly other formats are easily created depending upon the requirements of the users of the resource.

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