Extracting bioactive chemistry from documents: FAIR still has a long way to go

Presented at BioITWorld Boston, May 2022

The flow of SAR data curated from literature and patents into ~ChEMBL, BindingDB, Guide to Pharmacology and PubChem is central to drug discovery informatics. While these sources have made 2.8 million structures FAIR, commercial sources indicate a legacy extraction shortfall of 4 million. Another impediment is journal authors assuming that depositing bioactivity results as supplementary files into repositories such as Figshare magically makes it FAIR, despite not being machine-readable. Approaches to ameliorate both these legacy and current FAIR limitations will be outlined