{"id":"W4385497622","doi":"10.3390/molecules28155833","title":"[IPr#–PEPPSI]: A Well-Defined, Highly Hindered and Broadly Applicable Pd(II)–NHC (NHC = N-Heterocyclic Carbene) Precatalyst for Cross-Coupling Reactions","year":2023,"lang":"en","type":"article","venue":"Molecules","topic":"Catalytic Cross-Coupling Reactions","field":"Chemistry","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Institute of General Medical Sciences; Rutgers, The State University of New Jersey; American Chemical Society Petroleum Research Fund; National Institutes of Health; National Science Foundation","keywords":"Carbene; Chemistry; Coupling (piping); Medicinal chemistry; Palladium; Migratory insertion; Catalysis; Combinatorial chemistry; Organic chemistry; Materials science","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":false,"about_ca":true,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0002269854,0.0005191871,0.0005245725,0.0002452629,0.001210087,0.000488968,0.0004341601,0.000393402,0.00009859687],"category_scores_gemma":[0.0002874966,0.0005743722,0.0003165628,0.0005365983,0.0002883627,0.0002630876,0.0003699653,0.000437199,0.0002510866],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000227274,"about_ca_system_score_gemma":0.00008692472,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001025867,"about_ca_topic_score_gemma":0.0002202458,"domain_scores_codex":[0.9968131,0.000001479355,0.000725534,0.001148625,0.0004007117,0.0009105275],"domain_scores_gemma":[0.9977128,0.0004189552,0.0002854701,0.001110745,0.0001913606,0.0002806761],"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":[0.0001131222,0.0001639001,0.001293008,0.0004288364,0.000193451,0.00001779203,0.0003476438,0.004792326,0.9895144,0.0003149952,0.002197543,0.0006230582],"study_design_scores_gemma":[0.002881189,0.00006566519,0.001928211,0.000204051,0.0003064213,0.0001468701,0.0006702729,0.03984746,0.8852302,0.00158012,0.06600554,0.001134007],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.994537,0.0003104741,0.0006558837,0.0004527411,0.0002708206,0.0004869466,0.0004649453,0.001056367,0.001764849],"genre_scores_gemma":[0.9830974,0.000099402,0.0003519512,0.00005050092,0.0003372702,0.00055166,0.001133928,0.000178785,0.01419907],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1042841,"threshold_uncertainty_score":0.9996707,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0176322432208644,"score_gpt":0.2866569050516177,"score_spread":0.2690246618307534,"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."}}