{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006940575,0.0001988752,0.0003391748,0.0008300588,0.0001298398,0.00003155078,0.0006942412,0.0001173796,0.0006883328],"category_scores_gemma":[0.0001130854,0.0002233747,0.00009702009,0.002506409,0.0002842753,0.0001185398,0.0001535596,0.0004623691,0.000007081782],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001453573,"about_ca_system_score_gemma":0.00003265816,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002709618,"about_ca_topic_score_gemma":0.00001311271,"domain_scores_codex":[0.9982152,0.00005460108,0.0007084627,0.0003141818,0.0004025006,0.0003050589],"domain_scores_gemma":[0.997733,0.0008033898,0.0002420459,0.00103739,0.00007973762,0.0001044133],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"observational","study_design_gemma":"observational","study_design_scores_codex":[0.0001048129,0.00278557,0.7399961,0.0002292351,0.0003804221,0.0000180927,0.0007478083,0.0001900834,0.2445976,0.009138619,0.00004106009,0.001770549],"study_design_scores_gemma":[0.01241729,0.0009023059,0.5628179,0.0003707446,0.0006294696,0.0001037481,0.03815167,0.03406931,0.2443702,0.102829,0.000861739,0.002476659],"study_design_candidate":"observational","study_design_consensus":"observational","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9575347,0.001425534,0.008131254,0.0001148752,0.00001386106,0.0001368204,0.00001543938,0.000061888,0.03256565],"genre_scores_gemma":[0.9622251,0.0002456366,0.03733847,0.00001691942,0.00002812637,0.00001622545,0.00005688547,0.00001968559,0.00005297103],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1771782,"threshold_uncertainty_score":0.9108956,"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."}}