Ever read a science fiction story, or indeed any story, that featured cheminformatics as a major plot point?
I've just come across a short story by Asimov that involves a murder mystery in a chemistry library where the Beilstein catalogue plays a major role. Stricly speaking this isn't science fiction, but let's go with science-based fiction. The story in question is Asimov's "What's in a name?". Since it's a mystery story, better not to google the plot unless you like spoilers. It's available as part of a collection, Asimov's Mysteries.
(And a shout out to last year's Alpha Shock by Murcko and Walters - there's a bit of cheminformatics in there too.)