{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002325223,0.000245527,0.000150578,0.0001051669,0.00008535195,0.0002865558,0.0001483308,0.0002157446,0.001338927],"category_scores_gemma":[0.0002116259,0.00009860378,0.0001507076,0.00006777503,0.0002297846,0.0001966876,0.0001970893,0.0003464755,0.0002941489],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001842566,"about_ca_system_score_gemma":0.00008816215,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001054414,"about_ca_topic_score_gemma":0.0002338572,"domain_scores_codex":[0.9998506,0.00002356839,0.00001094887,0.00004550731,0.00002867489,0.0000406292],"domain_scores_gemma":[0.9998425,0.00004049456,0.00005539423,0.00001805369,0.00001392059,0.00002953449],"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":[0.00009039037,0.000015523,0.00003277452,0.00001632386,0.000001601376,0.00003506609,0.00001445987,0.000124144,0.9982668,0.0001609013,0.0000205564,0.001221427],"study_design_scores_gemma":[0.00001017457,0.0001962441,0.0003209008,0.000001422315,0.000002831869,0.00004178473,0.000004804563,0.0003169586,0.9981056,0.00002114906,0.0009753638,0.000002595652],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9890778,0.0006808683,0.00630304,0.00006445486,0.00005711429,0.00005816584,0.0001240016,0.0001158254,0.003518797],"genre_scores_gemma":[0.9960775,0.0002515742,0.002450695,0.00002457389,0.00001296346,0.00002512734,0.00006797375,0.00001932325,0.00107032],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001338927,"threshold_uncertainty_score":0.00447917,"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."}}