{"id":"W4389233497","doi":"10.1021/jacs.3c07234","title":"Palladium-Catalyzed Synthesis of Linked Bis-Heterocycles─Synthesis and Investigation of Photophysical Properties","year":2023,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Catalytic C–H Functionalization Methods","field":"Chemistry","cited_by":38,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Kennarshore; University of Toronto; HORIZON EUROPE Marie Sklodowska-Curie Actions; Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs","keywords":"Chemistry; Palladium; Density functional theory; Domino; Catalysis; Combinatorial chemistry; Photoluminescence; Computational chemistry; Photochemistry; Oxidative addition; Organic chemistry","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":[0.00008135492,0.0002652842,0.0001512123,0.0001934449,0.0001727018,0.0002261828,0.0003145531,0.0002117648,0.001958505],"category_scores_gemma":[0.00008409294,0.000124574,0.0001078122,0.0001694411,0.0001201383,0.0002288791,0.0001888381,0.0004439872,0.000506112],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003438067,"about_ca_system_score_gemma":0.0002733696,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004140723,"about_ca_topic_score_gemma":0.001197937,"domain_scores_codex":[0.9999489,0.000003432562,0.000003383744,0.00001495141,0.00001550979,0.00001394068],"domain_scores_gemma":[0.9999707,0.000003625383,0.000008275744,0.000005056777,0.000005196956,0.000007179957],"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":[0.00006765364,0.00009469462,0.0001961329,0.0001596,0.00001154295,0.0001482095,0.00004590855,0.0009003417,0.9719427,0.004461783,0.0003663599,0.02160506],"study_design_scores_gemma":[0.00001696183,0.0004520706,0.000893508,0.000008368489,0.000010756,0.0001317011,0.00001398457,0.00177938,0.985386,0.0004055345,0.0108904,0.00001120699],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9555078,0.002902562,0.02012176,0.0001048251,0.0000910102,0.0001875981,0.0007122809,0.0004254414,0.01994679],"genre_scores_gemma":[0.9839902,0.001485641,0.009407165,0.0000426511,0.000009021487,0.00007791547,0.0004148228,0.00004203096,0.004530595],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001958505,"threshold_uncertainty_score":0.006551921,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02772269507531333,"score_gpt":0.258844677168001,"score_spread":0.2311219820926876,"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."}}