{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002107202,0.0006091763,0.0002935519,0.0002237378,0.0001596552,0.0003402958,0.0005821879,0.0004262245,0.001338956],"category_scores_gemma":[0.000283085,0.0002763028,0.000177632,0.0002163938,0.0002218999,0.0004902589,0.0003449451,0.0007288025,0.001044505],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002630848,"about_ca_system_score_gemma":0.0002778953,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002490648,"about_ca_topic_score_gemma":0.0005376147,"domain_scores_codex":[0.9997454,0.00002055447,0.0000310501,0.00006105541,0.0001068102,0.00003503941],"domain_scores_gemma":[0.9998882,0.00001431418,0.00003495283,0.00001787662,0.00002390925,0.00002073295],"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":[0.00005558709,0.00002692041,0.00005722688,0.0003254179,0.0000155042,0.0002223206,0.00003330799,0.000313461,0.9887854,0.0006167408,0.0007347176,0.008813375],"study_design_scores_gemma":[0.000007031746,0.0001395796,0.0001710633,0.0000064483,0.000009140303,0.0003647208,0.000005648738,0.0003436839,0.9857728,0.00005298249,0.01311945,0.000007452673],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.807022,0.04581647,0.1110254,0.001368061,0.001218986,0.0007039218,0.002379299,0.00218365,0.02828224],"genre_scores_gemma":[0.9153861,0.01703426,0.04813409,0.0004037089,0.0002986437,0.0001904305,0.002336616,0.0002912836,0.01592484],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001338956,"threshold_uncertainty_score":0.004479289,"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."}}