{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006459136,0.0001778202,0.0004266961,0.00008471683,0.0000219065,0.00001959917,0.000142322,0.0001544229,0.000006424078],"category_scores_gemma":[0.0008043312,0.0001759059,0.00008474095,0.0002423058,0.000123915,0.000006884429,0.0000697383,0.0001035164,4.028305e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002490029,"about_ca_system_score_gemma":0.00008845751,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002832577,"about_ca_topic_score_gemma":0.00002417754,"domain_scores_codex":[0.9986537,0.00003285626,0.0005300387,0.0003983576,0.0001212675,0.0002638315],"domain_scores_gemma":[0.9992811,0.0000635364,0.0001502599,0.0002673527,0.0001419553,0.00009580134],"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":[0.0002921933,0.0001302528,0.01716911,0.00009215611,0.00009671851,0.000002113532,0.00004121788,0.0001057889,0.9812965,0.0003542877,0.00007930953,0.0003403159],"study_design_scores_gemma":[0.002409491,0.0001027266,0.006899014,0.00001553549,0.0001036874,0.000002947834,0.0003016259,0.008504853,0.977241,0.0006951349,0.003468023,0.0002559356],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9934032,0.004560473,0.001031358,0.0001477961,0.00003757418,0.0001632776,0.00004072349,0.00000608637,0.0006095375],"genre_scores_gemma":[0.9980646,0.0002675714,0.001187346,0.00005305103,0.00006984599,0.00003225226,0.0001801648,0.0000169021,0.0001282888],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0102701,"threshold_uncertainty_score":0.7173236,"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."}}