{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000874893,0.0001568013,0.0004555573,0.0002465266,0.0001096065,0.00003485283,0.0004093598,0.00008740869,0.00001328916],"category_scores_gemma":[0.0003485796,0.0001325679,0.0001061115,0.0005271782,0.0001785963,0.00002603138,0.000381745,0.00003470782,0.000001356004],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000003598878,"about_ca_system_score_gemma":0.00004517109,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001872968,"about_ca_topic_score_gemma":0.00009206388,"domain_scores_codex":[0.9987965,0.00002149598,0.0004617912,0.000377327,0.0001203129,0.000222545],"domain_scores_gemma":[0.9976974,0.00001885872,0.0002677755,0.001706662,0.0002318211,0.000077529],"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":[0.0008238535,0.0005735047,0.02071026,0.0005517453,0.02941096,6.143491e-7,0.001597647,0.00009311463,0.8575886,0.01952509,0.02434792,0.04477668],"study_design_scores_gemma":[0.001549081,0.001831259,0.01027128,0.000008790511,0.009663052,0.000006737772,0.001724941,0.06210416,0.6754194,0.000555169,0.236047,0.0008191103],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8609006,0.002916414,0.1313115,0.0001196181,0.0002594272,0.0004978272,0.002040375,0.00003297552,0.001921252],"genre_scores_gemma":[0.765791,0.002263421,0.2277533,0.0002492605,0.0003489878,0.00001759843,0.002981659,0.00002675991,0.0005679681],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2116991,"threshold_uncertainty_score":0.5405962,"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."}}