{"id":"W2030531891","doi":"10.1007/s10858-008-9234-6","title":"Internal pH indicators for biomolecular NMR","year":2008,"lang":"en","type":"article","venue":"Journal of Biomolecular NMR","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":79,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta","funders":"","keywords":"Chemistry; Structural genomics; Formate; Titration; Imidazole; Nuclear magnetic resonance spectroscopy; Proton NMR; Protein structure; Physical chemistry; Organic chemistry; Biochemistry; Catalysis","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":[0.0004439545,0.0002731098,0.0004529426,0.0004135019,0.0001659066,0.0000289905,0.0004700208,0.0001799424,0.00002463643],"category_scores_gemma":[0.0002940059,0.0002346407,0.0005936399,0.0003189771,0.0001896814,0.000009215458,0.000152422,0.0001655852,0.000006190674],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003268529,"about_ca_system_score_gemma":0.0001686539,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006512248,"about_ca_topic_score_gemma":0.000002095454,"domain_scores_codex":[0.9982288,0.00007414808,0.0006310456,0.0003205983,0.0003468327,0.0003985229],"domain_scores_gemma":[0.9985912,0.00001850197,0.0005491646,0.0003418961,0.0002908475,0.0002083212],"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":[0.0002565705,0.0001617412,0.001331558,0.00002069589,0.0006442671,0.0001525845,0.00005661704,0.00000873863,0.9868511,0.0002862417,0.008491591,0.001738328],"study_design_scores_gemma":[0.001898014,0.001384936,0.001511917,0.00002413341,0.0001219253,0.001004605,0.00006239143,0.00002574084,0.7674883,0.0002442318,0.225904,0.0003297772],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8310507,0.008521593,0.1583301,0.0004409799,0.0004937949,0.0002445906,0.00003344221,0.000009015812,0.0008757915],"genre_scores_gemma":[0.9881466,0.001821143,0.008428583,0.0005451967,0.0006070143,0.000009734468,0.00002376312,0.00004957583,0.0003683596],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2193628,"threshold_uncertainty_score":0.9568371,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01094833865951095,"score_gpt":0.2606363456180367,"score_spread":0.2496880069585258,"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."}}