{"id":"W2809895957","doi":"10.1093/bioinformatics/bty528","title":"MetaboAnalystR: an R package for flexible and reproducible analysis of metabolomics data","year":2018,"lang":"en","type":"article","venue":"Bioinformatics","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":802,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; McGill University; Chesapeake Research Consortium","keywords":"Computer science; Workflow; Flexibility (engineering); Interface (matter); Web server; Web application; World Wide Web; Database; Operating system; The Internet","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":[0.007509256,0.003429848,0.003025455,0.004037924,0.0008225412,0.004057615,0.004761435,0.001283114,0.04514894],"category_scores_gemma":[0.0339763,0.00175704,0.003151015,0.003766655,0.001021193,0.002390671,0.003547555,0.004081259,0.04036853],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007413148,"about_ca_system_score_gemma":0.00468978,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002962781,"about_ca_topic_score_gemma":0.003014597,"domain_scores_codex":[0.9962215,0.001485943,0.0004304807,0.0008142542,0.0008494192,0.0001983838],"domain_scores_gemma":[0.9863139,0.007062486,0.001897613,0.002236909,0.002036995,0.000452001],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"not_applicable","study_design_scores_codex":[0.001325201,0.0000861774,0.007384547,0.008780267,0.002848211,0.00089047,0.0005470171,0.01145996,0.01477024,0.01739397,0.8248138,0.1097002],"study_design_scores_gemma":[0.0007574585,0.0002834408,0.01123667,0.001285782,0.001246634,0.001795679,0.0001432401,0.07466522,0.03274335,0.05296761,0.8223073,0.0005677286],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"methods","genre_gemma":"software","genre_scores_codex":[0.00388882,0.001803103,0.5410796,0.001231145,0.0005899334,0.0005935357,0.1302688,0.316434,0.004111165],"genre_scores_gemma":[0.03001412,0.001719148,0.688511,0.001066852,0.0003477087,0.003037296,0.1194645,0.1512522,0.004587213],"genre_candidate":"software","genre_consensus":null,"teacher_disagreement_score":0.04514894,"threshold_uncertainty_score":0.1510382,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.049798772644403,"score_gpt":0.3253653511141781,"score_spread":0.2755665784697751,"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."}}