{"id":"W1973624689","doi":"10.1021/ja0015904","title":"Proton Migration and Tautomerism in Protonated Triglycine","year":2001,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":138,"is_retracted":false,"has_abstract":true,"ca_institutions":"York University","funders":"","keywords":"Protonation; Chemistry; Proton affinity; Crystallography; Hydrogen bond; Proton; Tautomer; Computational chemistry; Stereochemistry; Molecule; Ion; Organic chemistry","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":[0.000140426,0.0000882386,0.0002087732,0.00001688714,0.00003649195,0.00001656626,0.0002027266,0.00004601141,0.0001236523],"category_scores_gemma":[0.00004359625,0.00005744244,0.0001525241,0.0004349233,0.0001566276,0.00004842472,0.00004950804,0.0003811036,3.095553e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001215733,"about_ca_system_score_gemma":0.00002792642,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00007158431,"about_ca_topic_score_gemma":0.000001276556,"domain_scores_codex":[0.9992744,0.00001095003,0.0003007562,0.0001013932,0.0001791924,0.0001333315],"domain_scores_gemma":[0.9992664,0.00003584714,0.0004513058,0.0001441369,0.00005051887,0.00005175504],"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":[0.000038181,0.00009996627,0.03577636,0.00001923006,0.00001660812,0.000001220286,0.00008059312,0.000001032621,0.9606324,0.00002995366,0.0005793564,0.002725106],"study_design_scores_gemma":[0.0005653105,0.00004841915,0.004854558,0.00005970595,0.00002135666,0.0001477659,0.0002049697,0.0007549113,0.9664476,0.001442529,0.02532792,0.0001249865],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9950745,0.00004416241,0.00005671928,0.003906495,0.000005029119,0.0001841886,0.000001889707,0.00001932044,0.0007077258],"genre_scores_gemma":[0.996316,0.0003182259,0.002862977,0.0001994222,0.00008963253,0.00006194389,9.748384e-7,0.000009471201,0.0001413378],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0309218,"threshold_uncertainty_score":0.2342435,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008072317994552188,"score_gpt":0.2677568384963228,"score_spread":0.2596845205017705,"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."}}