{"id":"W2623058021","doi":"10.1016/j.jbi.2017.06.002","title":"MetabolitePredict: A de novo human metabolomics prediction system and its applications in rheumatoid arthritis","year":2017,"lang":"en","type":"article","venue":"Journal of Biomedical Informatics","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":11,"is_retracted":false,"has_abstract":false,"ca_institutions":"Intertek (Canada)","funders":"Eunice Kennedy Shriver National Institute of Child Health and Human Development","keywords":"Metabolomics; Metabolite; Computational biology; Disease; Metabolite profiling; Medicine; Rheumatoid arthritis; Bioinformatics; Biology; Internal medicine","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":[0.0009725736,0.001301818,0.0009684293,0.001121869,0.0003857751,0.0008809033,0.0007469759,0.0007773223,0.004235481],"category_scores_gemma":[0.002108514,0.0004809125,0.0009766086,0.0008326585,0.0001534886,0.0005412233,0.0008355623,0.0006083145,0.001835005],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003462184,"about_ca_system_score_gemma":0.0009072216,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002324286,"about_ca_topic_score_gemma":0.003093541,"domain_scores_codex":[0.9997398,0.00005709294,0.0000238332,0.0001065403,0.00005821445,0.00001457805],"domain_scores_gemma":[0.999464,0.0003049496,0.00005510995,0.00006616001,0.00005930307,0.00005038154],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.01006222,0.000979256,0.07110646,0.003265854,0.002358991,0.004093985,0.0003399093,0.09584188,0.127346,0.00304457,0.08131233,0.6002486],"study_design_scores_gemma":[0.0006421851,0.0008071869,0.03399339,0.0001471938,0.001106947,0.003072204,0.0001169181,0.8127747,0.08644913,0.008655365,0.05203044,0.0002043054],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.2672543,0.008761476,0.4405772,0.001580824,0.0003459414,0.000537678,0.0990468,0.177818,0.004077798],"genre_scores_gemma":[0.5017276,0.00338474,0.4184851,0.0008603584,0.0002020611,0.0005604918,0.06819887,0.002726894,0.003853852],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.004235481,"threshold_uncertainty_score":0.0141691,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009852883141377826,"score_gpt":0.2622035083696717,"score_spread":0.2523506252282938,"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."}}