{"id":"W4391682351","doi":"10.26434/chemrxiv-2024-g4vxk","title":"Alkene-Coordinated Palladium(0) Cross-Coupling Precatalysts: Comparing Oxidative Addition and Catalytic Reactivity for Dimethyl Fumarate and Maleic Anhydride Stabilizing Ligands","year":2024,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Catalytic Cross-Coupling Reactions","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Victoria","funders":"Natural Sciences and Engineering Research Council of Canada; British Columbia Knowledge Development Fund; University of Victoria","keywords":"Palladium; Chemistry; Maleic anhydride; Denticity; Borylation; Alkene; Oxidative addition; Catalysis; Heck reaction; Suzuki reaction; Phosphine; Combinatorial chemistry; Organic chemistry; Cyclooctadiene; Ligand (biochemistry); Medicinal chemistry; Polymer chemistry; Aryl; Alkyl; Metal; Polymer","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":[0.0001505449,0.0002661605,0.0001639864,0.0002008233,0.00009887278,0.0002754251,0.0002940636,0.0002464285,0.001130791],"category_scores_gemma":[0.0002690371,0.0001659158,0.0001425438,0.0002188286,0.0001354048,0.0002437729,0.0001386026,0.0002787524,0.0003299136],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000214949,"about_ca_system_score_gemma":0.0001874119,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001462551,"about_ca_topic_score_gemma":0.002621623,"domain_scores_codex":[0.9998431,0.00001383365,0.00001808724,0.00003631628,0.00004714698,0.00004137487],"domain_scores_gemma":[0.9998844,0.00002202428,0.00003239691,0.00001720817,0.00002527534,0.000018751],"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":[0.0001182271,0.00002760718,0.0002635662,0.00004234311,0.000008723389,0.00003058277,0.00002653944,0.0001213204,0.9972365,0.00009136766,0.00003709536,0.001996179],"study_design_scores_gemma":[0.000002279531,0.00008595573,0.0004325384,9.399121e-7,0.00000370058,0.00002557058,0.000006028557,0.0001717115,0.9988411,0.00000614848,0.0004226814,0.000001406799],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9960801,0.000647548,0.001290719,0.0000142113,0.000005971825,0.00002148421,0.000203466,0.00007397847,0.001662573],"genre_scores_gemma":[0.9938259,0.0006188921,0.002892375,0.00001269583,0.000003574589,0.00001312092,0.0004344499,0.00003526199,0.002163754],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001462551,"threshold_uncertainty_score":0.003782868,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03009976979080312,"score_gpt":0.306754297942719,"score_spread":0.2766545281519158,"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."}}