{"id":"W4366213778","doi":"10.3390/molecules28083483","title":"Evaluating Software Tools for Lipid Identification from Ion Mobility Spectrometry–Mass Spectrometry Lipidomics Data","year":2023,"lang":"en","type":"review","venue":"Molecules","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"Pacific Northwest National Laboratory; National Institute of General Medical Sciences; Natural Sciences and Engineering Research Council of Canada","keywords":"Lipidomics; Ion-mobility spectrometry; Mass spectrometry; Identification (biology); Chemistry; Chromatography; Computer science; Computational biology; Biology; Biochemistry","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":[0.006532788,0.001459169,0.00139455,0.006670812,0.0003142941,0.001958706,0.00244999,0.001141023,0.003630385],"category_scores_gemma":[0.01533674,0.0005057633,0.001282006,0.004241418,0.0005593451,0.00227885,0.001378061,0.001567351,0.00566383],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006962436,"about_ca_system_score_gemma":0.002614642,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001280489,"about_ca_topic_score_gemma":0.001389858,"domain_scores_codex":[0.997437,0.000592588,0.0004371625,0.0002833788,0.001123788,0.0001260046],"domain_scores_gemma":[0.9898109,0.006367778,0.0005042035,0.0003565685,0.00273588,0.0002247442],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00006498592,0.00005645698,0.0005758732,0.01689256,0.0001761504,0.0001477889,0.0001652949,0.0007773525,0.003000945,0.00592762,0.02054704,0.9516679],"study_design_scores_gemma":[0.00004028002,0.0001190109,0.001463088,0.01286793,0.0003762077,0.0008043039,0.0001441967,0.001622959,0.008202111,0.005298583,0.9689594,0.0001020158],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.00315517,0.9109877,0.06381986,0.001934606,0.000896159,0.0003338397,0.001632342,0.003271644,0.01396875],"genre_scores_gemma":[0.008953821,0.8876115,0.09133806,0.001328739,0.0004132848,0.000473462,0.004621936,0.001053633,0.004205546],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.006670812,"threshold_uncertainty_score":0.03454912,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.183728187361773,"score_gpt":0.4119181307353924,"score_spread":0.2281899433736194,"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."}}