{"id":"W4255285228","doi":"10.1002/ange.201510675","title":"Validating Eaton's Hypothesis: Cubane as a Benzene Bioisostere","year":2016,"lang":"en","type":"article","venue":"Angewandte Chemie","topic":"Cyclopropane Reaction Mechanisms","field":"Chemistry","cited_by":45,"is_retracted":false,"has_abstract":true,"ca_institutions":"Centre for Drug Research and Development","funders":"Australian Research Council","keywords":"Cubane; Bioisostere; Benzene; Chemistry; Molecule; Ring (chemistry); Small molecule; Stereochemistry; Combinatorial chemistry; Organic chemistry; Chemical synthesis; In vitro; Biochemistry","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":["insufficient_payload"],"consensus_categories":["insufficient_payload"],"category_scores_codex":[0.00008930158,0.00027881,0.0002606767,0.00005441677,0.0001080988,0.00004980972,0.0002824129,0.0002001351,0.00529098],"category_scores_gemma":[0.0002217591,0.0002064332,0.000146851,0.000116066,0.00004553543,0.0001796014,0.000115569,0.0001348947,0.0009578605],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002083757,"about_ca_system_score_gemma":0.00005995111,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003887644,"about_ca_topic_score_gemma":0.000008003726,"domain_scores_codex":[0.9984743,0.000009677637,0.0002822535,0.0004906438,0.0003134219,0.0004296892],"domain_scores_gemma":[0.9987951,0.0001731488,0.0001645251,0.0006048964,0.00008679037,0.0001755252],"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":[0.00002608362,0.00003421964,0.0002900573,0.00009295299,0.0000408075,0.00002873161,0.0001614146,6.948748e-8,0.9721114,0.00007806081,0.0005540573,0.02658215],"study_design_scores_gemma":[0.0007613795,0.00002071873,0.00001680216,0.0002163385,0.00004669278,0.00009509666,0.0004589535,2.924989e-7,0.9582751,0.0006969463,0.03908913,0.0003224895],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8827785,0.0003908921,0.0000559901,0.0006198048,0.0001180622,0.00007945313,0.00004082437,0.0003965227,0.11552],"genre_scores_gemma":[0.9863485,0.0001460554,0.0008985461,0.0001756364,0.0004695929,0.00005247625,0.00002006235,0.00008037365,0.01180882],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1037112,"threshold_uncertainty_score":0.99982,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02490319557496792,"score_gpt":0.2377749965832773,"score_spread":0.2128718010083094,"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."}}