{"id":"W2565810366","doi":"10.1021/acs.jafc.6b05034","title":"Development and Validation of a Qualitative Method for Target Screening of 448 Pesticide Residues in Fruits and Vegetables Using UHPLC/ESI Q-Orbitrap Based on Data-Independent Acquisition and Compound Database","year":2016,"lang":"en","type":"article","venue":"Journal of Agricultural and Food Chemistry","topic":"Pesticide Residue Analysis and Safety","field":"Agricultural and Biological Sciences","cited_by":79,"is_retracted":false,"has_abstract":true,"ca_institutions":"Canadian Food Inspection Agency","funders":"","keywords":"Orbitrap; Pesticide residue; Database; Chemistry; Mass spectrometry; Electrospray ionization; Chromatography; Pesticide; Computer science","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0009169203,0.0001233184,0.0003302947,0.00001951491,0.00008098107,0.00002594515,0.00008357895,0.00006274664,0.000005971422],"category_scores_gemma":[0.0001370477,0.00004276538,0.0000321697,0.00009141958,0.0000572705,0.0002347128,0.00006294647,0.00006615961,9.334602e-9],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001537956,"about_ca_system_score_gemma":0.00001671906,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003892938,"about_ca_topic_score_gemma":0.00004494975,"domain_scores_codex":[0.9989299,0.00008696711,0.0004566463,0.0001948551,0.0002044496,0.0001272299],"domain_scores_gemma":[0.9986189,0.0006567466,0.0004478411,0.0000358809,0.0001521762,0.00008846763],"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":[0.0001475099,0.0000579535,0.006820852,0.0001294876,0.00006267182,0.000001613601,0.0002590542,0.00004580098,0.9886925,0.0000171127,0.000006391924,0.003759042],"study_design_scores_gemma":[0.0009057274,0.0003064052,0.4106099,0.0008383269,0.0001215205,0.00005708132,0.002768844,0.000407601,0.583534,0.0002427609,0.000032205,0.0001756921],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9976771,0.0007111937,0.001034776,0.0003132822,0.000005584831,0.00007278731,0.0001748877,0.000001768525,0.000008654588],"genre_scores_gemma":[0.9746918,0.00009900132,0.02506186,0.00001221188,0.00004581635,0.000001194303,0.00008344059,7.733673e-7,0.00000388142],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.4051585,"threshold_uncertainty_score":0.1743922,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0863403213061774,"score_gpt":0.3244399279518076,"score_spread":0.2380996066456302,"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."}}