{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.001912198,0.0009051813,0.002054858,0.0004340396,0.0003186524,0.0004001359,0.002004754,0.0007212345,0.00004061398],"category_scores_gemma":[0.007217209,0.0008604153,0.0008271758,0.0008657319,0.0001353719,0.00002928731,0.00136864,0.0004356884,0.0000980275],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001637468,"about_ca_system_score_gemma":0.0003877108,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003245063,"about_ca_topic_score_gemma":0.00003875726,"domain_scores_codex":[0.9943653,0.0003490192,0.001486888,0.002485552,0.0005212208,0.0007919997],"domain_scores_gemma":[0.9944177,0.0006844015,0.001090507,0.003399352,0.0002478322,0.0001602422],"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":[0.0001356456,0.0003341866,0.0000151139,0.009620155,0.003817246,0.000007506219,0.00002416576,0.00002098782,0.132199,0.0004161014,0.00971885,0.8436911],"study_design_scores_gemma":[0.0008847304,0.0004930206,0.00009083695,0.001330051,0.002834055,0.00001017058,0.00007907448,0.000231407,0.007938987,0.001839063,0.9825994,0.001669185],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.001036241,0.9275773,0.05933734,0.00004061595,0.001512711,0.002304488,0.00799491,0.0001298682,0.00006648673],"genre_scores_gemma":[0.00004026798,0.9058482,0.0586274,0.00004040307,0.002881892,0.0005370731,0.03128356,0.0002417417,0.0004994705],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.9728805,"threshold_uncertainty_score":0.9993846,"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."}}