Sugar&Splice supports PubChem’s support for biologics

Half a million molecules on PubChem have just had a new section added entitled “Biologic Description”. This includes a depiction of the oligomer structure and several line notations including IUPAC condensed and HELM, all of which were generated using Sugar&Splice through perception from the all-atom representation. Since the original development of Sugar&Splice was as part of a collaboration with PubChem, it is great to see these annotations finally appearing as part of this important resource.

Previous blog posts have shown examples of the sorts of peptide depictions that Sugar&Splice can generate. Here is how one appears on PubChem (CID118753634).

pubchem-peptide

Sugar&Splice also supports CFG-style depiction of oligosaccharides (CID71297593):

pubchem-sacc

As ever, there is always more work to be done on improving depictions and perception, and we look forward to further increasing the coverage of biologics in PubChem over the coming months.

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