{"id":"W2103571642","doi":"10.1002/jms.2953","title":"The use of mass defect in modern mass spectrometry","year":2012,"lang":"en","type":"article","venue":"Journal of Mass Spectrometry","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":278,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université du Québec à Montréal","funders":"","keywords":"Mass spectrometry; Chemistry; Mass; Mass spectrum; Analyte; Analytical Chemistry (journal); Resolution (logic); Function (biology); Molecule; Mass spectrometry imaging; Combinatorial chemistry; Chromatography; Organic chemistry; Artificial intelligence; Computer science","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.003106671,0.001075331,0.001135479,0.002922584,0.0007837143,0.002584637,0.002353995,0.002841712,0.001552806],"category_scores_gemma":[0.003874309,0.0005516444,0.0006583651,0.003008602,0.00697317,0.00467766,0.002893281,0.004428595,0.001738433],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001084571,"about_ca_system_score_gemma":0.0006515961,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000325304,"about_ca_topic_score_gemma":0.0001862613,"domain_scores_codex":[0.9962042,0.0009521038,0.0002614171,0.0008286604,0.001596483,0.0001572669],"domain_scores_gemma":[0.9973929,0.001081283,0.000325487,0.0007204032,0.0003768603,0.0001030065],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0002372215,0.00008359221,0.001620408,0.001608024,0.00009921256,0.00155263,0.0006738332,0.003156829,0.108001,0.5546607,0.01605336,0.3122533],"study_design_scores_gemma":[0.0000300956,0.0003017292,0.001712112,0.0005181329,0.0000623766,0.009471473,0.0002422905,0.0207321,0.1009304,0.3936726,0.4720348,0.0002919647],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.01119817,0.1035502,0.8531357,0.004343187,0.003419901,0.00007661116,0.0002328785,0.002287171,0.02175618],"genre_scores_gemma":[0.1699657,0.07761277,0.7302419,0.005347599,0.003893364,0.0002511205,0.0004107483,0.0006029852,0.01167389],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.003106671,"threshold_uncertainty_score":0.01642984,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02839132770649979,"score_gpt":0.271255146845866,"score_spread":0.2428638191393662,"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."}}