{"id":"W2060564399","doi":"10.1002/rcm.3084","title":"Gas‐phase fragmentation of protonated benzodiazepines","year":2007,"lang":"en","type":"article","venue":"Rapid Communications in Mass Spectrometry","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":22,"is_retracted":false,"has_abstract":true,"ca_institutions":"York University","funders":"Università della Calabria; University of Cambridge; York University","keywords":"Chemistry; Benzonitrile; Protonation; Benzene; Fragmentation (computing); Ionic bonding; Ammonia; Photochemistry; Gas phase; Ion; Medicinal 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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0007608389,0.0002186174,0.0003315587,0.0008145323,0.0001416243,0.00002669162,0.001332029,0.0001709277,0.004425898],"category_scores_gemma":[0.0001274911,0.0002441591,0.000121928,0.002140398,0.0002076689,0.0001438428,0.0002057383,0.0005088245,0.00001614137],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003013019,"about_ca_system_score_gemma":0.00005645463,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00008907881,"about_ca_topic_score_gemma":0.00005644313,"domain_scores_codex":[0.9980511,0.00004621486,0.0008826831,0.0003204317,0.0003047764,0.0003947691],"domain_scores_gemma":[0.9967109,0.0003713513,0.0003850973,0.002309702,0.0001324969,0.00009048548],"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":[0.0000689411,0.001850588,0.01609625,0.0001317348,0.00006047315,0.000002739674,0.0001785062,0.000006837902,0.8561884,0.1078491,0.0002055153,0.01736094],"study_design_scores_gemma":[0.002411196,0.0001973585,0.006407671,0.000153841,0.0000493724,0.00001649351,0.0009330277,0.002383746,0.9433286,0.03045367,0.01309434,0.0005707222],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7197542,0.001665769,0.0217814,0.001408725,0.00003998345,0.001064079,0.0001112397,0.0005174792,0.2536572],"genre_scores_gemma":[0.8702579,0.0009090684,0.128068,0.00002693821,0.0000361314,0.0002931685,0.0002187745,0.00003238948,0.0001576618],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2534995,"threshold_uncertainty_score":0.9964842,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02595318508356478,"score_gpt":0.3407146645717929,"score_spread":0.3147614794882281,"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."}}