{"id":"W2265712295","doi":"10.1139/cjc-2015-0477","title":"The acidity of β-phosphoglucomutase monofluoromethylenephosphonate ligands probed by NMR spectroscopy and quantum mechanical methods","year":2016,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Biochemical and Molecular Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Brandon University; Dalhousie University","funders":"Natural Sciences and Engineering Research Council of Canada; Canadian Institutes of Health Research","keywords":"Chemistry; Phosphoglucomutase; Conformational isomerism; Diastereomer; Nuclear magnetic resonance spectroscopy; Spectroscopy; Stereochemistry; Epimer; Computational chemistry; Crystallography; Enzyme; Molecule; Organic chemistry","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":true,"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":[0.0007267574,0.000156301,0.0002223151,0.00002055428,0.00007202324,0.00002322874,0.0004270997,0.0002182084,0.00006675062],"category_scores_gemma":[0.0006347508,0.00009447606,0.0001388313,0.00006752915,0.000398208,0.00000550229,0.0000696183,0.000214439,6.721792e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006707035,"about_ca_system_score_gemma":0.0008617163,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001821489,"about_ca_topic_score_gemma":0.00006456763,"domain_scores_codex":[0.9988294,0.00005726337,0.0003602259,0.0002130966,0.0001698236,0.0003702096],"domain_scores_gemma":[0.9985694,0.00006432748,0.0002038845,0.0002992345,0.0002240293,0.0006391178],"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":[0.000118642,0.00001483418,0.00009128862,0.00002149376,0.00007938967,0.00001243879,0.00001041655,5.356846e-8,0.9859129,0.00003860077,0.00865359,0.005046338],"study_design_scores_gemma":[0.0005544451,0.0001651467,0.00003462054,0.00003766919,0.00001626945,0.00009874242,0.0000262683,0.000003480333,0.9495515,0.0007691769,0.04862029,0.0001224338],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.97774,0.0175151,0.003046936,0.00132291,0.00008872929,0.00007601207,0.00005670726,0.000001901635,0.0001516779],"genre_scores_gemma":[0.9963152,0.001636114,0.00137413,0.00008443042,0.00008797806,0.000004564447,0.000008470085,0.00002089489,0.0004681518],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0399667,"threshold_uncertainty_score":0.3852622,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007341845574421726,"score_gpt":0.2692673690031462,"score_spread":0.2619255234287245,"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."}}