{"id":"W2036822054","doi":"10.1021/jo060103l","title":"Remote Substituent Effects in Ruthenium-Catalyzed [2+2] Cycloadditions:  An Experimental and Theoretical Study","year":2006,"lang":"en","type":"article","venue":"The Journal of Organic Chemistry","topic":"Catalytic Alkyne Reactions","field":"Chemistry","cited_by":31,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Guelph","funders":"","keywords":"Regioselectivity; Chemistry; Substituent; Double bond; Ruthenium; Density functional theory; Catalysis; Cycloaddition; Medicinal chemistry; Stereochemistry; Photochemistry; Computational chemistry; Organic chemistry","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":[0.0003028077,0.0006824411,0.0004092367,0.0002180443,0.0002635477,0.0002754353,0.0005951582,0.0003755387,0.002464599],"category_scores_gemma":[0.0003558473,0.0002549529,0.0003218054,0.0002682669,0.0004372027,0.0005057662,0.0002001205,0.0004768889,0.0002080568],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002785393,"about_ca_system_score_gemma":0.0001511124,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000559736,"about_ca_topic_score_gemma":0.0006422045,"domain_scores_codex":[0.9998869,0.00002512278,0.00000334363,0.00002368158,0.00003679918,0.00002419389],"domain_scores_gemma":[0.9998417,0.0000878168,0.00002955258,0.00001943762,0.00001633869,0.000005104877],"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":[0.0004873362,0.0003241917,0.00116942,0.001014901,0.00006093738,0.0009279235,0.0001490878,0.1620821,0.7982662,0.02138431,0.0003521208,0.01378151],"study_design_scores_gemma":[0.0001331273,0.001010587,0.002592474,0.00003089285,0.00007331697,0.0002830269,0.00009662578,0.3838027,0.6067165,0.00324995,0.001919693,0.00009097804],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9831139,0.0009688028,0.007884007,0.00007250526,0.00001618198,0.0000207104,0.0000978159,0.00007754422,0.007748574],"genre_scores_gemma":[0.9967684,0.0005811982,0.002250077,0.000009977834,0.000006086218,0.00001688833,0.0000522816,0.000009875122,0.0003054142],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002464599,"threshold_uncertainty_score":0.008244872,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005037285279052043,"score_gpt":0.2374887873630925,"score_spread":0.2324515020840405,"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."}}