{"id":"W2054604609","doi":"10.1021/ja106053x","title":"Efficient Macrocyclization Achieved via Conformational Control Using Intermolecular Noncovalent π-Cation/Arene Interactions","year":2010,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":53,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"","keywords":"Chemistry; Intermolecular force; Non-covalent interactions; Computational chemistry; Intermolecular interaction; Stereochemistry; Molecule; Organic chemistry; Hydrogen bond","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":[0.0001828963,0.0001143766,0.0002033682,0.00001455373,0.00009477518,0.00002689375,0.0002862458,0.00005425248,0.00003118747],"category_scores_gemma":[0.0001586505,0.00007959869,0.0006189507,0.0001550167,0.0002219991,0.000005045238,0.00008371539,0.0002773244,0.000001292685],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005634249,"about_ca_system_score_gemma":0.0000638016,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001469061,"about_ca_topic_score_gemma":0.000001853189,"domain_scores_codex":[0.9990736,0.00003605067,0.0003894674,0.0001212854,0.0002406664,0.0001389585],"domain_scores_gemma":[0.9987723,0.0000354644,0.0006799701,0.0001932388,0.0002346683,0.0000843432],"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":[0.00004358502,0.00009121434,0.0009252944,0.000003742002,0.0001700653,1.621136e-7,0.00003489199,0.00122901,0.9962854,0.000004786766,0.0003259785,0.0008858553],"study_design_scores_gemma":[0.000407856,0.00002425567,0.0009691315,0.00001525896,0.0001370649,0.00007675877,0.00008703641,0.02770493,0.9686237,0.00003084034,0.001802886,0.0001202803],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9549719,0.00002531844,0.04407341,0.0007035763,0.0001335691,0.00005004159,0.000009795399,0.000002911587,0.00002948406],"genre_scores_gemma":[0.995397,0.00001086588,0.00341435,0.0007743668,0.0003651825,0.000001990509,0.00001046592,0.00001077051,0.00001495099],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04065907,"threshold_uncertainty_score":0.324594,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005033896844966538,"score_gpt":0.2544250456025913,"score_spread":0.2493911487576248,"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."}}