{"id":"W1485391280","doi":"10.1002/cmmi.1527","title":"A DOTAM‐based paraCEST agent favoring TSAP geometry for enhanced amide proton chemical shift dispersion and temperature sensitivity","year":2013,"lang":"en","type":"article","venue":"Contrast Media & Molecular Imaging","topic":"Lanthanide and Transition Metal Complexes","field":"Materials Science","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University; Robarts Clinical Trials","funders":"","keywords":"Amide; Chemistry; Dispersion (optics); Chelation; Proton; Steric effects; Physical chemistry; Stereochemistry; Inorganic chemistry; 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":[0.0003622619,0.0002542027,0.0003342241,0.00008382644,0.0001582797,0.0002882346,0.0001152909,0.00006313393,0.00006174611],"category_scores_gemma":[0.0001920062,0.000217462,0.0001047747,0.000124697,0.0001555319,0.0003358119,0.00004996631,0.0001602018,0.00002873505],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003650846,"about_ca_system_score_gemma":0.00003978529,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00006991772,"about_ca_topic_score_gemma":0.000004161479,"domain_scores_codex":[0.9983367,0.0001151671,0.0002550467,0.0005353825,0.0002960134,0.0004616614],"domain_scores_gemma":[0.9991559,0.0001955516,0.00008690057,0.0002348381,0.0001192753,0.0002075448],"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":[0.00004189656,0.000049413,0.0002862354,0.0001424117,0.000008865147,0.00003400002,0.0002178953,0.00001777948,0.9983608,0.00005947331,0.00001965311,0.0007615565],"study_design_scores_gemma":[0.001074117,0.00001823755,0.002971622,0.0001141519,0.00004543501,0.00001825794,0.00008559087,0.003015093,0.9920931,0.0002296368,0.00005743941,0.0002773596],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9371741,0.00027575,0.0603657,0.0006173469,0.0001853049,0.001199611,0.00004642594,0.00009961015,0.00003617484],"genre_scores_gemma":[0.9929917,0.000006188543,0.005770712,0.0007152019,0.0001079724,0.0002930353,0.00008184023,0.00003094592,0.000002409001],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05581761,"threshold_uncertainty_score":0.8867843,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006802189570864934,"score_gpt":0.2249112713081589,"score_spread":0.218109081737294,"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."}}