{"id":"W6903166662","doi":"10.1021/ic026043t.s001","title":"Creating New Binding Sites in Ligands and Metal Complexes Using the\\nNegishi Cross-Coupling Reaction","year":2016,"lang":"en","type":"article","venue":"Figshare","topic":"Catalytic Cross-Coupling Reactions","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Stantec (Canada)","funders":"","keywords":"Negishi coupling; Ruthenium; Metal; Binding site; Active site; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002517558,0.0005837287,0.0003004287,0.0002421613,0.0002619387,0.0004462128,0.000845146,0.0005944225,0.003347396],"category_scores_gemma":[0.0002529855,0.0004275733,0.0001883682,0.0001987026,0.0004118662,0.0006616738,0.000937082,0.0009353145,0.001071373],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003976103,"about_ca_system_score_gemma":0.0001995966,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005601587,"about_ca_topic_score_gemma":0.001497239,"domain_scores_codex":[0.9998311,0.00002477107,0.000009531508,0.00004886878,0.0000445337,0.00004115545],"domain_scores_gemma":[0.9999245,0.00002172843,0.00001169713,0.00001919706,0.000009132951,0.00001370616],"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":[0.000093858,0.00003279412,0.0001103457,0.0001238005,0.00001185618,0.0001589579,0.00008693353,0.0003098243,0.9847677,0.007629943,0.0002941569,0.006379794],"study_design_scores_gemma":[0.0000258692,0.0001046852,0.0002149019,0.000005335826,0.00001126613,0.0001680968,0.00002092877,0.0009044157,0.9892632,0.0004115572,0.008852766,0.00001694057],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9021416,0.001566031,0.06650586,0.0003590287,0.0001358805,0.0001431689,0.0002463794,0.0007562764,0.02814581],"genre_scores_gemma":[0.9675375,0.0007418271,0.01923393,0.0001993511,0.00001842928,0.0000990036,0.0001832655,0.0001228414,0.01186396],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003347396,"threshold_uncertainty_score":0.01119816,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.07377606733092344,"score_gpt":0.3314385161260924,"score_spread":0.257662448795169,"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."}}