{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.01687126,0.002725742,0.001865714,0.001731176,0.001562269,0.002932777,0.001908731,0.003110028,0.004704466],"category_scores_gemma":[0.01461326,0.0008590598,0.001419459,0.0008767153,0.002210276,0.002013265,0.003466071,0.002711443,0.005067571],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00101387,"about_ca_system_score_gemma":0.003995533,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001421829,"about_ca_topic_score_gemma":0.003040152,"domain_scores_codex":[0.988932,0.003192363,0.0006152179,0.002532806,0.00397589,0.000751749],"domain_scores_gemma":[0.9922724,0.002482979,0.0007468811,0.001142762,0.002857541,0.0004974945],"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":[0.001655402,0.0001623202,0.001030795,0.0003644982,0.0002478404,0.0001535455,0.0001674942,0.0004281857,0.9629787,0.001390733,0.002453577,0.02896702],"study_design_scores_gemma":[0.0001044497,0.001078546,0.001860293,0.00007234206,0.0001557078,0.0007772892,0.00006152931,0.004863113,0.9696646,0.0006462996,0.02055437,0.0001615225],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2661424,0.00818569,0.6862288,0.00294856,0.001167753,0.003635726,0.007883528,0.01371031,0.01009726],"genre_scores_gemma":[0.3394509,0.004117157,0.6197029,0.002291486,0.0002499255,0.003559313,0.00901241,0.004442302,0.0171737],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.01687126,"threshold_uncertainty_score":0.08922482,"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."}}