{"id":"W2085360805","doi":"10.1021/jo801274m","title":"Cyclobutanone Mimics of Penicillins: Effects of Substitution on Conformation and Hemiketal Stability","year":2008,"lang":"en","type":"article","venue":"The Journal of Organic Chemistry","topic":"Antibiotic Resistance in Bacteria","field":"Biochemistry, Genetics and Molecular Biology","cited_by":47,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"","keywords":"Chemistry; Substituent; Stereochemistry; Conformational isomerism; Cyclohexane conformation; Pseudorotation; Ring (chemistry); Hydrogen bond; Organic chemistry; Molecule","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00006767461,0.0001654348,0.0001423002,0.00008123794,0.00008938121,0.0002370261,0.0001078653,0.0001403296,0.001172806],"category_scores_gemma":[0.0002605819,0.0001065433,0.00008691323,0.00009488186,0.0001584687,0.0001660499,0.0001184763,0.000211109,0.0001571264],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002201546,"about_ca_system_score_gemma":0.0001162895,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000427962,"about_ca_topic_score_gemma":0.0007913826,"domain_scores_codex":[0.9999443,0.00001123386,0.000004292996,0.00001041973,0.00001067456,0.00001899232],"domain_scores_gemma":[0.9998635,0.00004434861,0.00003648498,0.00001211481,0.00001104011,0.00003241057],"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":[0.0003710352,0.00003222308,0.000321752,0.00003431124,0.000007100005,0.00007724293,0.0000390335,0.0004749131,0.9958652,0.0002176478,0.00002280109,0.002536707],"study_design_scores_gemma":[0.00002739875,0.0006726683,0.001585989,0.00000437742,0.00001075436,0.0001119313,0.00002045735,0.0008549311,0.9959089,0.00003892328,0.0007577456,0.00000588018],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9986093,0.0003186757,0.0001598484,0.00001065083,0.00000290059,0.000004586865,0.00002722396,0.000008990704,0.0008579985],"genre_scores_gemma":[0.9992486,0.0001868958,0.0001925149,0.000006210581,0.000001251378,0.000003654345,0.00003783254,0.000005212664,0.000317744],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001172806,"threshold_uncertainty_score":0.003923416,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006878451147998651,"score_gpt":0.2041091914390624,"score_spread":0.1972307402910637,"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."}}