{"id":"W2548357532","doi":"10.1186/s13321-016-0174-y","title":"ClassyFire: automated chemical classification with a comprehensive, computable taxonomy","year":2016,"lang":"en","type":"article","venue":"Journal of Cheminformatics","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":1587,"is_retracted":false,"has_abstract":true,"ca_institutions":"The Metabolomics Innovation Centre; Alberta Innovates; Athabasca University; Ottawa Hospital; University of Ottawa; University of Alberta","funders":"Alberta Innovates; National Institutes of Health; Genome Alberta; U.S. National Library of Medicine; University of Alberta; Canadian Institutes of Health Research; Genome Canada","keywords":"Computer science; Taxonomy (biology); Class (philosophy); Druggability; Information retrieval; Chemical database; Artificial intelligence; Data science; Chemistry","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04246514513245019,"score_gpt":0.2767156684727564,"score_spread":0.2342505233403062,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}