{"id":"W3089732496","doi":"10.3390/ph13100282","title":"A Second Generation Mn-Porphyrin Dimer with a Twisted Linker as a Potential Blood Pool Agent for MRI: Tuning the Geometry and Binding with HSA","year":2020,"lang":"en","type":"article","venue":"Pharmaceuticals","topic":"Lanthanide and Transition Metal Complexes","field":"Materials Science","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"The Scarborough Hospital; University of Toronto","funders":"University of Toronto Scarborough; Natural Sciences and Engineering Research Council of Canada; Canada Foundation for Innovation","keywords":"Linker; Porphyrin; Dimer; Chemistry; Crystallography; Geometry; Stereochemistry; Computer science; Biochemistry; Mathematics; Organic chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0003110332,0.0001704145,0.0002031518,0.00004250079,0.0002680903,0.0002380184,0.000122829,0.00003687263,0.001058881],"category_scores_gemma":[0.00002527716,0.00009995372,0.00004264859,0.0001987346,0.000114925,0.0002125345,0.00004431566,0.0001305118,0.00004764387],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000007353541,"about_ca_system_score_gemma":0.00004063837,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000007934214,"about_ca_topic_score_gemma":0.000009268926,"domain_scores_codex":[0.9987754,0.0001019014,0.0002078651,0.0003607561,0.0002667676,0.0002873094],"domain_scores_gemma":[0.9994705,0.00008848069,0.00007927376,0.0001157462,0.00008050614,0.0001655083],"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":[0.000308609,0.00004501926,0.00006126316,0.00007969049,0.00009581346,0.00003482857,0.0004433769,0.00009928099,0.9981388,0.0003174958,0.0001368445,0.0002389712],"study_design_scores_gemma":[0.002557608,0.0004092853,0.000164418,0.00003296035,0.0005413346,0.0001554197,0.0001668105,0.009272238,0.9818347,0.00006225771,0.004540037,0.0002629055],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9768235,0.0002740373,0.01960062,0.002361823,0.00007618788,0.0006169708,0.0001077881,0.00006478378,0.00007430471],"genre_scores_gemma":[0.9933985,0.00002081653,0.003004637,0.003122861,0.0002454904,0.00007711055,0.00003595977,0.00002446869,0.00007016254],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01659598,"threshold_uncertainty_score":0.9998543,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.06873916409775013,"score_gpt":0.3057259202763258,"score_spread":0.2369867561785756,"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."}}