{"id":"W3088043031","doi":"10.1021/acs.analchem.0c03129","title":"Capillary Electrophoresis-Mass Spectrometry at Trial by Metabo-Ring: Effective Electrophoretic Mobility for Reproducible and Robust Compound Annotation","year":2020,"lang":"en","type":"article","venue":"Analytical Chemistry","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":69,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"H2020 Marie Skłodowska-Curie Actions; Natural Sciences and Engineering Research Council of Canada; Horizon 2020 Framework Programme; Ministerio de Ciencia e Innovación; National Research, Development and Innovation Office; Centre National de la Recherche Scientifique; Université de Strasbourg; Comunidad de Madrid; Agence Nationale de la Recherche; Nederlandse Organisatie voor Wetenschappelijk Onderzoek; European Regional Development Fund; European Commission; Ministerio de Ciencia, Innovación y Universidades; Genome Canada; Labex; National Institutes of Health; Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung; Arnold and Mabel Beckman Foundation; National Science Foundation","keywords":"Chemistry; Capillary electrophoresis; Chromatography; Capillary electrophoresis–mass spectrometry; Reproducibility; Mass spectrometry; Capillary action; Metabolite; Analytical Chemistry (journal); Electrospray ionization; Biochemistry","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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0003693649,0.0003563213,0.0005793556,0.00002947754,0.0002026115,0.00005536519,0.000200318,0.0002284715,0.00004740277],"category_scores_gemma":[0.001151548,0.0003433306,0.0002343059,0.0003108547,0.0002141382,0.000007282525,0.0001639128,0.00022878,0.00000322957],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00008494214,"about_ca_system_score_gemma":0.00006466216,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000008273227,"about_ca_topic_score_gemma":0.000001657501,"domain_scores_codex":[0.9974735,0.000061617,0.0004048616,0.001288696,0.0002312653,0.000540094],"domain_scores_gemma":[0.9988483,0.0001088239,0.0001484262,0.0004666893,0.000152466,0.0002753335],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00694203,0.000114596,0.0003332644,0.0001399883,0.000397848,0.000003231806,0.00001339978,0.000016651,0.9822749,0.0001141421,0.009583686,0.00006629997],"study_design_scores_gemma":[0.007199624,0.001190748,0.0002328204,0.000003593434,0.0002898166,0.00001113287,0.00003644526,0.001175925,0.9777706,0.0003192557,0.01135072,0.0004192789],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9854919,0.007849882,0.003574618,0.001034804,0.00005229497,0.0008060061,0.00007480587,0.00003105425,0.001084649],"genre_scores_gemma":[0.994984,0.001303738,0.001494665,0.0003293479,0.0006419278,0.0001494254,0.0003781172,0.00004687884,0.0006719012],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009492113,"threshold_uncertainty_score":0.9999019,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01349652363814182,"score_gpt":0.2475696413547596,"score_spread":0.2340731177166177,"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."}}