{"id":"W2026765676","doi":"10.1007/s10858-015-9922-y","title":"A comparison of chemical shift sensitivity of trifluoromethyl tags: optimizing resolution in 19F NMR studies of proteins","year":2015,"lang":"en","type":"article","venue":"Journal of Biomolecular NMR","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":81,"is_retracted":false,"has_abstract":false,"ca_institutions":"Canada Research Chairs; University of Toronto","funders":"National Institute of General Medical Sciences; Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Trifluoromethyl; Chemical shift; Acetamide; Fluorine-19 NMR; Solvent; Nuclear magnetic resonance spectroscopy; Computational chemistry; Stereochemistry; Crystallography; Physical chemistry; Organic chemistry; Alkyl","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.002316825,0.0005159948,0.0004411787,0.0004164437,0.0003450739,0.000685397,0.0006178468,0.0011551,0.0004794571],"category_scores_gemma":[0.004238755,0.0004241988,0.0003592056,0.0004624969,0.0004105078,0.0008339063,0.0003698393,0.0005795766,0.0002008838],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004050232,"about_ca_system_score_gemma":0.000379449,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001314293,"about_ca_topic_score_gemma":0.001950567,"domain_scores_codex":[0.9989913,0.0003232354,0.00007930287,0.0001657486,0.0002991278,0.0001412686],"domain_scores_gemma":[0.9981815,0.0009139997,0.0002509741,0.0001375496,0.0003997591,0.0001162308],"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":[0.0002540959,0.00001589063,0.0002398187,0.00004298773,0.00001209654,0.00002254544,0.00004179383,0.0001935613,0.9967391,0.00005089266,0.00002815934,0.00235906],"study_design_scores_gemma":[0.000007457196,0.00013826,0.0007819582,0.000005674223,0.0000252493,0.0001539771,0.0000167849,0.001112241,0.9972978,0.0000247774,0.0004241956,0.00001159122],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9696305,0.004440958,0.02443886,0.0002218668,0.00004986443,0.00004504059,0.000248616,0.0001156483,0.000808659],"genre_scores_gemma":[0.9243729,0.00469589,0.06848936,0.0002828729,0.00004573036,0.00005728164,0.0007450565,0.000158478,0.001152436],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002316825,"threshold_uncertainty_score":0.01225263,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.06099852391747557,"score_gpt":0.3777236854105688,"score_spread":0.3167251614930932,"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."}}