{"id":"W4393007071","doi":"10.3390/ijms25063491","title":"A Workflow for Meaningful Interpretation of Classification Results from Handheld Ambient Mass Spectrometry Analysis Probes","year":2024,"lang":"en","type":"review","venue":"International Journal of Molecular Sciences","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"St. Michael's Hospital; Canada Research Chairs; Princess Margaret Cancer Centre; Ontario Institute for Cancer Research; University of Toronto; University Health Network","funders":"Natural Sciences and Engineering Research Council of Canada; Canadian Institutes of Health Research; Princess Margaret Cancer Foundation","keywords":"Computer science; Workflow; Classifier (UML); Mass spectrometry; Artificial intelligence; Overfitting; Data science; Data mining; Chemistry; Database; Chromatography","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":[0.00722117,0.001800973,0.001796999,0.003559853,0.0006053803,0.002601539,0.003161389,0.001681138,0.004628174],"category_scores_gemma":[0.005241707,0.000916332,0.001197463,0.002005388,0.001106891,0.00189305,0.001598775,0.002856021,0.008304638],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001165723,"about_ca_system_score_gemma":0.002783072,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001463516,"about_ca_topic_score_gemma":0.001244626,"domain_scores_codex":[0.997294,0.0003532266,0.0002648175,0.0004798874,0.001515234,0.00009291334],"domain_scores_gemma":[0.9964752,0.001015252,0.0002995599,0.0004615764,0.001625244,0.0001231062],"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":[0.0002839992,0.0002135222,0.0008559333,0.006500872,0.0001899285,0.0005122644,0.0002622383,0.003218257,0.1162083,0.017526,0.04642783,0.8078008],"study_design_scores_gemma":[0.00009632317,0.0004089703,0.003640643,0.001756337,0.0002467313,0.001941879,0.0001593506,0.01628559,0.1986075,0.02271424,0.7538413,0.0003011011],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"review","genre_scores_codex":[0.002409422,0.02223183,0.9482974,0.00125243,0.0007825527,0.001929926,0.002431971,0.01237124,0.008293102],"genre_scores_gemma":[0.01858614,0.0278599,0.9361484,0.001243678,0.0003988281,0.002389915,0.003800759,0.0009493252,0.008622891],"genre_candidate":"review","genre_consensus":null,"teacher_disagreement_score":0.00722117,"threshold_uncertainty_score":0.03818971,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03870336719072801,"score_gpt":0.3610108690232343,"score_spread":0.3223075018325062,"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."}}