{"id":"W2300746680","doi":"10.1002/poc.1903","title":"Experimental and computational determination of Brønsted coefficients for equilibrium transfer of the <i>O</i>,<i>O</i>‐dimethyl phosphorothioyl group between oxyanion nucleophiles","year":2011,"lang":"en","type":"article","venue":"Journal of Physical Organic Chemistry","topic":"DNA and Nucleic Acid Chemistry","field":"Biochemistry, Genetics and Molecular Biology","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"","keywords":"Chemistry; Nucleophile; Oxyanion; Methanol; Leaving group; Medicinal chemistry; Group (periodic table); Bond cleavage; Computational chemistry; Stereochemistry; Organic chemistry; Catalysis","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":[0.000104422,0.000133982,0.0002534764,0.000009766581,0.00003025319,0.000005183018,0.0002436067,0.0001139415,0.00001987382],"category_scores_gemma":[0.00004429839,0.0001057663,0.0002101233,0.00006899,0.000199258,0.000009977491,0.00007635046,0.0001016497,9.465791e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001501178,"about_ca_system_score_gemma":0.00005231623,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000001028959,"about_ca_topic_score_gemma":4.305325e-8,"domain_scores_codex":[0.9991295,0.00001743124,0.0003728844,0.0001502399,0.0002151202,0.0001148797],"domain_scores_gemma":[0.9993165,0.00003869593,0.0002744719,0.0001414995,0.0001614482,0.00006735472],"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":[0.0001477659,0.0003333065,0.000652966,0.0001075756,0.00006320216,3.256802e-7,0.0002398884,0.000003046488,0.9979199,0.00001073731,0.00002232707,0.0004989477],"study_design_scores_gemma":[0.001110241,0.0003169153,0.001400613,0.00005035538,0.00008171139,0.00001815437,0.0001481551,0.00009709774,0.9964772,0.00009822191,0.00009769834,0.0001036289],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9964879,0.0001867525,0.003013379,0.00001709311,0.00004253059,0.00008931046,0.00004364551,0.000002313029,0.0001171419],"genre_scores_gemma":[0.9989848,0.00000400442,0.0007377259,0.00001584166,0.0001964421,0.000001566981,0.0000189158,0.00002026057,0.00002040514],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002497003,"threshold_uncertainty_score":0.4313024,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01000973526160625,"score_gpt":0.2313407658920827,"score_spread":0.2213310306304765,"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."}}