{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001797219,0.00117458,0.0009086836,0.001807706,0.0006878774,0.0007417356,0.001422454,0.001392995,0.001627843],"category_scores_gemma":[0.002259004,0.0008415691,0.0009670187,0.0008492926,0.0006990377,0.0007669532,0.001094476,0.0008560344,0.001395078],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006134216,"about_ca_system_score_gemma":0.002412975,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001527384,"about_ca_topic_score_gemma":0.0032475,"domain_scores_codex":[0.9950741,0.0005247821,0.0002724882,0.0009385484,0.003054027,0.0001360621],"domain_scores_gemma":[0.9983982,0.0003244282,0.0001975601,0.0001707203,0.0008314507,0.0000775087],"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":[0.00006146569,0.00007213072,0.001010027,0.000203516,0.00003976639,0.00006525304,0.00003834828,0.0002795905,0.9718412,0.0001433059,0.0001978774,0.02604751],"study_design_scores_gemma":[0.00006055758,0.0008948644,0.009294556,0.00003926052,0.0001068444,0.001624014,0.00005960019,0.008360762,0.9708589,0.0002945854,0.008292376,0.0001138225],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.1759164,0.002377458,0.8100069,0.0002395736,0.0001355505,0.001979177,0.002304167,0.004402436,0.002638354],"genre_scores_gemma":[0.1597545,0.0009949486,0.8307826,0.0005048609,0.00003692077,0.001725386,0.002462427,0.0002234587,0.003514882],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.001807706,"threshold_uncertainty_score":0.009504676,"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."}}