Update of InChIKey searching in Google and other sources
Year: 2025
Type: article
Abstract: Presented at ACS CINF, Washinton, August 2025 Much progress has been made in cheminformatics since the paper “InChI in the wild: an assessment of InChIKey searching in Google” (PMID23399051) was published 12 years ago including the expansion of PubChem from 47 to 119 million. This presentation revisits aspects of Goolge InChIKey (IK) searching and other sources updated to 2025. The results for selected atorvastin-related queries such as canonical atorvastatin XUKUURHRXDUEBC-KAYWLYCHSA-N and para-hydroxy atorvastatin, CZBPKFICAYVHHM-JWQCQUIFSA-N will be compared that show considerable changes since 2013. For example the hit counts are no longer available but do provide the useful “AI Overview”. The hit lists are considerably different but it is unclear what systematic changes have caused the shifts over time. What is noticeable are more 2025 hits from Google Patents and sources not present in the 2013 results. While the utility of IK Google searches remains, the presentation will also introduce recent results for IK searching of Perplexity, Reaxys, CAS STN, UniChem and bulk searches using the PubChem Identifier Exchange Service.
Author: Christopher Southan
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7080423743
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