{"id":"W2953328584","doi":"10.1002/chin.200851206","title":"ChemInform Abstract: Cyclobutanone Mimics of Penicillins: Effects of Substitution on Conformation and Hemiketal Stability.","year":2008,"lang":"en","type":"article","venue":"ChemInform","topic":"Antibiotic Resistance in Bacteria","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"","keywords":"Chemistry; Cyclobutanone; Substitution (logic); Stereochemistry; Computational chemistry; Organic chemistry; Ring (chemistry)","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":[0.0001126716,0.0001625814,0.0002346602,0.00003415781,0.00004343249,0.000004077488,0.0001228296,0.0001976144,0.00002840799],"category_scores_gemma":[0.0002072702,0.0001528749,0.00007743203,0.00006391296,0.0003491052,0.00002304995,0.00005200363,0.00007560909,0.000002843105],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002925384,"about_ca_system_score_gemma":0.00008813306,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006178053,"about_ca_topic_score_gemma":0.000001968654,"domain_scores_codex":[0.9990453,1.62935e-7,0.0004483506,0.0001556409,0.0001813512,0.0001691594],"domain_scores_gemma":[0.9991473,0.00003524428,0.000310399,0.0003129616,0.0001333054,0.00006079884],"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":[0.0003727236,0.0001116175,0.002114347,0.001064738,0.00005355504,0.000002188838,0.000397605,8.883545e-7,0.9819161,0.0002206445,0.0005942715,0.01315132],"study_design_scores_gemma":[0.0006182655,0.0001707253,0.02007113,0.00007726281,0.00001464926,0.00002375429,0.00008326914,0.000005631563,0.9768395,0.00001064941,0.001940044,0.0001450642],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9332417,0.0001885125,0.000004391333,0.000005595974,0.00006938276,0.0002205229,0.00002349714,0.000007956543,0.06623839],"genre_scores_gemma":[0.9984617,0.0007838977,0.00008208344,0.00002573818,0.00004117095,0.000004497509,0.0001977375,0.000009420993,0.000393714],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.06584467,"threshold_uncertainty_score":0.6234059,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009988198025607116,"score_gpt":0.2211555410399773,"score_spread":0.2111673430143702,"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."}}