{"id":"W2562812629","doi":"10.3390/metabo6040046","title":"Current and Future Perspectives on the Structural Identification of Small Molecules in Biological Systems","year":2016,"lang":"en","type":"review","venue":"Metabolites","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":156,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Identification (biology); Current (fluid); Computational biology; Data science; Computer science; Biology; Engineering; Ecology","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003818193,0.0003019111,0.0008455685,0.0001309877,0.00005229034,0.00003075553,0.0002546438,0.0001774063,0.000007727525],"category_scores_gemma":[0.0001948989,0.0001412734,0.0002122175,0.0001497603,0.0001624319,0.00000179761,0.0001340049,0.0001508431,0.000002358026],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001207638,"about_ca_system_score_gemma":0.00003473553,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004056484,"about_ca_topic_score_gemma":0.000001855803,"domain_scores_codex":[0.9984461,0.0003259587,0.0004807863,0.0004742277,0.00008187856,0.0001910581],"domain_scores_gemma":[0.9990847,0.00007825891,0.0003629259,0.000373008,0.00007103689,0.00003008107],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00002975129,0.00007860392,0.0002445985,0.002340746,0.000526284,0.000001101101,0.0001796042,4.713582e-7,0.004846262,0.1792382,0.0001094972,0.8124049],"study_design_scores_gemma":[0.0001074442,0.00005354527,0.0008258848,0.0003186179,0.0001065733,0.000005339138,0.0003187004,0.000001763044,0.000313414,0.0002260305,0.9975123,0.0002104067],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.01089262,0.9879167,0.00002850173,0.00005382004,0.000372326,0.0004742794,0.0001943279,0.000004228927,0.00006316321],"genre_scores_gemma":[0.003739824,0.9954271,0.00004699979,0.000004754916,0.0005727775,0.0001001491,0.00005521894,0.00001699817,0.00003622009],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.9974028,"threshold_uncertainty_score":0.5760962,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0318535599551891,"score_gpt":0.304249090087136,"score_spread":0.2723955301319468,"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."}}