Table 2.
Label relevant to patent | Label refers to MOI, target of MOI, or downstream effects of MOI | Label refers to MOI, target of MOI, downstream effects of MOI, or molecules of which MOI is an intermediate | |
---|---|---|---|
Patent summarization (n = 1,028) | 1.00 | 0.81 | 0.94 |
Achiral SMILES for the MOI were converted to same-connectivity PubChem CIDs, and associated patents were retrieved and fed into GPT-3.5-turbo for summarization into brief labels. Manual validation was performed on 100 molecules randomly selected from the 27 CheSS searches’ top 250 results.