{"id":"W2103881568","doi":"10.1002/chem.201303453","title":"Exocyclic Control of Turn Induction in Macrocyclic Peptide Scaffolds","year":2013,"lang":"en","type":"article","venue":"Chemistry - A European Journal","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":59,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Peptide; Chemistry; Rotation formalisms in three dimensions; Intramolecular force; Combinatorial chemistry; Amide; Cyclic peptide; Aziridine; Computer science; Aldehyde; Stereochemistry; Ring (chemistry); Organic chemistry; Biochemistry; Mathematics; Catalysis","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":[],"consensus_categories":[],"category_scores_codex":[0.0003208578,0.0001626838,0.0002205616,0.00003283179,0.00004993377,0.00004717955,0.0002773051,0.00007275341,0.0004429434],"category_scores_gemma":[0.0001027528,0.0001434001,0.0002101221,0.000108075,0.00008512627,0.000008958149,0.00006234634,0.0001729902,0.00003116786],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002446303,"about_ca_system_score_gemma":0.0000251217,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00000690594,"about_ca_topic_score_gemma":6.956319e-7,"domain_scores_codex":[0.9987811,0.0001118861,0.0004675465,0.0002405293,0.0001466595,0.0002522859],"domain_scores_gemma":[0.9992406,0.00001179542,0.0002530546,0.0002447079,0.0000898152,0.0001600067],"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":[0.00002212403,0.00007215853,0.004738299,0.0000182578,0.00005524277,0.00001223275,0.00001643049,0.00002281225,0.9881663,2.831414e-7,0.001022878,0.005852982],"study_design_scores_gemma":[0.001158874,0.00004286416,0.01832993,0.00007046063,0.00003973642,0.000221212,0.0001374184,0.0001764534,0.9739092,0.00002587415,0.00565013,0.000237848],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9959187,0.0004298118,0.000290607,0.000167077,0.00003063575,0.00004828775,0.000004534234,0.000005469914,0.003104882],"genre_scores_gemma":[0.9984707,0.0001654258,0.0001457468,0.00007843057,0.0004874538,0.000003536788,0.00001610322,0.00002657398,0.0006060303],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0142571,"threshold_uncertainty_score":0.5847685,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005730594284269222,"score_gpt":0.1975362184111974,"score_spread":0.1918056241269282,"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."}}