{"id":"W4324129037","doi":"10.1038/s41557-023-01156-7","title":"Control of dynamic sp3-C stereochemistry","year":2023,"lang":"en","type":"article","venue":"Nature Chemistry","topic":"Supramolecular Chemistry and Complexes","field":"Chemistry","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Engineering and Physical Sciences Research Council; Natural Sciences and Engineering Research Council of Canada; Research Councils UK; Leverhulme Trust","keywords":"Stereocenter; Chemistry; Stereochemistry; Nitrogen inversion; Walden inversion; Ligand (biochemistry); Intermolecular force; Asymmetric carbon; Molecule; Catalysis; Enantioselective synthesis; Nitrogen; Organic chemistry; Receptor","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0001353484,0.0003655202,0.0004274904,0.00002805041,0.00008113721,0.00002962987,0.0007203281,0.0009803935,0.002894418],"category_scores_gemma":[0.0002883032,0.0003875547,0.0003050726,0.0004276967,0.0001810802,0.00005599692,0.0001403006,0.001086739,0.00005219121],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007361809,"about_ca_system_score_gemma":0.000108661,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000002752549,"about_ca_topic_score_gemma":3.172947e-7,"domain_scores_codex":[0.99796,0.000008188735,0.0004370717,0.0005838105,0.0004992601,0.0005116478],"domain_scores_gemma":[0.9983594,0.0001647271,0.0002236828,0.0009444979,0.0001316195,0.0001760192],"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":[0.0000703796,0.00006856732,0.0006717871,0.001166361,0.0001225487,0.0000863114,0.00002679753,0.00001166521,0.9954304,0.00002103013,0.001429489,0.0008946566],"study_design_scores_gemma":[0.00107908,0.000003784638,0.00009464346,0.0001346563,0.00005778605,0.00007034528,0.0002118151,0.000642151,0.9897131,0.0003962843,0.007219987,0.0003763631],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9411596,0.0008765064,0.0000500532,0.0001777629,0.00008338229,0.00004312454,0.0002630225,0.0004692756,0.05687729],"genre_scores_gemma":[0.9928351,0.00003133291,0.00009197412,0.00007834836,0.0002100469,0.0000298898,0.0004964354,0.00005580762,0.006171078],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05167551,"threshold_uncertainty_score":0.9998577,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003597523609913511,"score_gpt":0.2333261416318423,"score_spread":0.2297286180219288,"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."}}