{"id":"W3215418111","doi":"10.1021/acs.analchem.1c02660","title":"An Introduction to the Benchmarking and Publications for Non-Targeted Analysis Working Group","year":2021,"lang":"en","type":"article","venue":"Analytical Chemistry","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":73,"is_retracted":false,"has_abstract":true,"ca_institutions":"Health Canada; University of Saskatchewan","funders":"Natural Sciences and Engineering Research Council of Canada; National Institute of Food and Agriculture; National Institute of Standards and Technology","keywords":"Benchmarking; Harmonization; Consistency (knowledge bases); Data science; Variety (cybernetics); Dissemination; Standardization; Set (abstract data type); Chemistry; Computer science; Management science; Engineering; Business","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.1887752,0.003544563,0.003335761,0.02388988,0.005852088,0.02638841,0.01077853,0.009293737,0.05464697],"category_scores_gemma":[0.2379666,0.002032867,0.003836292,0.02307965,0.003844412,0.01818486,0.01923126,0.009235308,0.06142084],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.009252115,"about_ca_system_score_gemma":0.0399952,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0052344,"about_ca_topic_score_gemma":0.003742146,"domain_scores_codex":[0.862722,0.0464685,0.0222709,0.008862848,0.05260776,0.007068054],"domain_scores_gemma":[0.6711646,0.07031883,0.02846712,0.04305509,0.162926,0.02406841],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0001402986,0.000280686,0.001480758,0.002043484,0.00005974001,0.000180623,0.0007764215,0.0006542618,0.001414758,0.02502706,0.6882661,0.2796757],"study_design_scores_gemma":[0.00003526684,0.00007195943,0.0009176394,0.002225965,0.00002460829,0.00009915677,0.0002566626,0.0003772574,0.000642763,0.01000934,0.9852815,0.00005783245],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"methods","genre_gemma":"other","genre_scores_codex":[0.004401668,0.03472007,0.3213752,0.2560144,0.08820634,0.01880477,0.03949806,0.02369675,0.2132827],"genre_scores_gemma":[0.01960546,0.0382682,0.5438213,0.05693636,0.03334209,0.03105106,0.09798208,0.01565945,0.163334],"genre_candidate":"other","genre_consensus":null,"teacher_disagreement_score":0.1887752,"threshold_uncertainty_score":0.9983505,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01049055826549888,"score_gpt":0.2672746764254285,"score_spread":0.2567841181599296,"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."}}