{"id":"W2910998901","doi":"10.1039/c8cc08862d","title":"Prying open a Thiele cage: discovery of an unprecedented extended pinacol rearrangement","year":2019,"lang":"en","type":"article","venue":"Chemical Communications","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Victoria","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; Michael Smith Health Research BC; University of Victoria","keywords":"Chemistry; Pinacol; Cage effect; Molecule; Stereochemistry; Cage; Drug discovery; Computational chemistry; Catalysis; Organic chemistry; Combinatorics","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":[0.000137931,0.0002471012,0.0001997626,0.0002196922,0.0002456658,0.0004390305,0.000380039,0.0004319505,0.002274841],"category_scores_gemma":[0.0002257049,0.0001830556,0.0001779839,0.0001310585,0.0005444789,0.0006240949,0.0007299905,0.000729818,0.000634354],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000230952,"about_ca_system_score_gemma":0.0001841375,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002554237,"about_ca_topic_score_gemma":0.0005231944,"domain_scores_codex":[0.9999163,0.00001026291,0.000002740215,0.00001967581,0.00001721,0.0000338666],"domain_scores_gemma":[0.9999441,0.00001068141,0.000009448422,0.000008744898,0.000005214049,0.00002178938],"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":[0.0002215171,0.000112672,0.0003875454,0.0003750744,0.00002504392,0.002271151,0.0004453006,0.001859777,0.9546223,0.01799544,0.001014701,0.0206694],"study_design_scores_gemma":[0.0001350689,0.001840677,0.00214285,0.00006493348,0.00002466115,0.002459544,0.0002038498,0.00366038,0.9427102,0.003165191,0.04350308,0.00008963443],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9551378,0.002493551,0.0120571,0.0005131365,0.00009762795,0.0001422508,0.0002678415,0.0002797414,0.02901099],"genre_scores_gemma":[0.9876088,0.001944079,0.004430186,0.0001457192,0.00001931785,0.00006820945,0.0001889874,0.00004328745,0.005551443],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002274841,"threshold_uncertainty_score":0.007610083,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02257177781384336,"score_gpt":0.3165205612004137,"score_spread":0.2939487833865704,"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."}}