{"id":"W4392354784","doi":"10.1021/acscatal.4c00249","title":"DalPhos on Demand: Facile Ligand Generation Enables New Ligand Discovery and Expedient Catalyst Screening","year":2024,"lang":"en","type":"article","venue":"ACS Catalysis","topic":"Catalytic Cross-Coupling Reactions","field":"Chemistry","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"Saint Mary's University; Dalhousie University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Ligand (biochemistry); Combinatorial chemistry; Reagent; Phosphine; Catalysis; Aryl; Chemistry; Scope (computer science); Organic chemistry; Computer science; Receptor","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":[0.0006282464,0.0007668418,0.0004756661,0.0004339053,0.0002507597,0.000669103,0.0009293052,0.0004581465,0.003758648],"category_scores_gemma":[0.0006365569,0.0003529473,0.0002447445,0.0003397746,0.0002782118,0.000754986,0.0009379198,0.0009928377,0.001993258],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004552584,"about_ca_system_score_gemma":0.0004173052,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004419456,"about_ca_topic_score_gemma":0.001328086,"domain_scores_codex":[0.9993939,0.00005893882,0.00004515494,0.0001644566,0.0002394222,0.0000980331],"domain_scores_gemma":[0.9997928,0.00004068101,0.00003514385,0.00004490467,0.00004818956,0.00003832127],"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":[0.0002100281,0.0000806718,0.0002406113,0.0002494321,0.00001851268,0.0002130192,0.00008974718,0.0007732114,0.9741743,0.001873293,0.0007374243,0.02133968],"study_design_scores_gemma":[0.00002789871,0.000185075,0.0001746674,0.000009470158,0.000009440978,0.000230869,0.00002926711,0.001881007,0.9867569,0.0002108969,0.01046995,0.0000145796],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7747481,0.003845539,0.1774754,0.0007773139,0.0001438124,0.001037479,0.00458341,0.003845459,0.03354345],"genre_scores_gemma":[0.907934,0.002965851,0.07334119,0.0002114562,0.00003156192,0.0004121284,0.003229781,0.0003449579,0.011529],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003758648,"threshold_uncertainty_score":0.0125739,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02223629190389227,"score_gpt":0.2646111621870911,"score_spread":0.2423748702831989,"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."}}