{"id":"W2120045252","doi":"10.1002/rcm.3002","title":"Fragmentation of 3‐hydroxyflavone; a computational and mass spectrometric study","year":2007,"lang":"en","type":"article","venue":"Rapid Communications in Mass Spectrometry","topic":"Analytical Chemistry and Chromatography","field":"Chemistry","cited_by":19,"is_retracted":false,"has_abstract":true,"ca_institutions":"Trent University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Deprotonation; Chemistry; Fragmentation (computing); Protonation; Dissociation (chemistry); Computational chemistry; Molecule; Ion; Photochemistry; Physical chemistry; Organic chemistry","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":[0.000449206,0.0005420248,0.0005356108,0.0005098619,0.0004621728,0.0005439006,0.00115728,0.0005785041,0.002155044],"category_scores_gemma":[0.000642794,0.0002240636,0.0005215776,0.0006251208,0.0003580507,0.0004765086,0.0002478746,0.0003423189,0.0002102893],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001047256,"about_ca_system_score_gemma":0.0008684856,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.007729067,"about_ca_topic_score_gemma":0.005747128,"domain_scores_codex":[0.9999036,0.00001262422,0.000004143132,0.00002077868,0.00003793403,0.00002098163],"domain_scores_gemma":[0.9996527,0.0001856622,0.00005121546,0.00002242744,0.00006681347,0.00002111385],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001492274,0.0003487344,0.01547144,0.0006196232,0.0002141674,0.001549073,0.0002284989,0.87563,0.06063879,0.00753238,0.00185352,0.0344215],"study_design_scores_gemma":[0.00009715754,0.0001924923,0.004203293,0.00001123012,0.00002919804,0.0002276893,0.0000772942,0.9691002,0.02394067,0.001083023,0.001014517,0.00002317051],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9819202,0.0004070964,0.01182553,0.0001257766,0.00001527749,0.00003763712,0.0008377608,0.0003008632,0.004529842],"genre_scores_gemma":[0.9883456,0.0002631672,0.009864965,0.00005487432,0.000006185187,0.00003301551,0.0006851758,0.00002914631,0.0007179331],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007729067,"threshold_uncertainty_score":0.0153681,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01748670963789559,"score_gpt":0.2955004958444902,"score_spread":0.2780137862065946,"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."}}