{"id":"W2396430205","doi":"10.1021/acs.analchem.5b02282","title":"DnsID in MyCompoundID for Rapid Identification of Dansylated Amine- and Phenol-Containing Metabolites in LC–MS-Based Metabolomics","year":2015,"lang":"en","type":"article","venue":"Analytical Chemistry","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":108,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Canadian Institutes of Health Research; Alberta Innovates; Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; Genome Canada","keywords":"Chemistry; Metabolomics; Chromatography; Phenol; Amine gas treating; Metabolite; Identification (biology); Biochemistry; Organic chemistry; Botany","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":[0.0009784638,0.0008487913,0.0007647266,0.0009971856,0.0004534204,0.0007243,0.0005092429,0.0006545039,0.003680533],"category_scores_gemma":[0.0009003789,0.0005212093,0.0006457012,0.0008110451,0.0003116148,0.000864021,0.0008070716,0.0009987102,0.002799429],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004719784,"about_ca_system_score_gemma":0.0006697422,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005257204,"about_ca_topic_score_gemma":0.001431021,"domain_scores_codex":[0.998965,0.0001605413,0.0000877865,0.0003283498,0.0003739925,0.00008426837],"domain_scores_gemma":[0.999612,0.000100491,0.00009976033,0.00005906316,0.00008361904,0.00004502373],"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":[0.0002379776,0.00004527974,0.0007451195,0.0001474242,0.00001756431,0.00008881717,0.00002792311,0.0001827029,0.9801435,0.0001906912,0.0003176527,0.01785531],"study_design_scores_gemma":[0.00001921973,0.0001588258,0.001769974,0.00001762867,0.00002489462,0.0002594183,0.000010752,0.003759182,0.9854,0.00006874307,0.008495172,0.00001603374],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"methods","genre_scores_codex":[0.5243437,0.006659502,0.4400408,0.0004006396,0.0002632627,0.001046441,0.009654881,0.009885097,0.007705633],"genre_scores_gemma":[0.3410958,0.002438599,0.627358,0.0004595794,0.00006108027,0.001573575,0.01667755,0.001055287,0.00928056],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.003680533,"threshold_uncertainty_score":0.01231259,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02253334676903929,"score_gpt":0.2796948702244975,"score_spread":0.2571615234554582,"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."}}