{"id":"W2313782503","doi":"10.1038/ncomms11065","title":"Iterative protecting group-free cross-coupling leading to chiral multiply arylated structures","year":2016,"lang":"en","type":"article","venue":"Nature Communications","topic":"Catalytic Cross-Coupling Reactions","field":"Chemistry","cited_by":125,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"Japan Society for the Promotion of Science; Natural Sciences and Engineering Research Council of Canada","keywords":"Transmetalation; Coupling reaction; Polyene; Combinatorial chemistry; Molecule; Chemistry; Conjugated system; Group (periodic table); Coupling (piping); Palladium; Reactivity (psychology); Protecting group; Boron; Computational chemistry; Organic chemistry; Materials science; Catalysis; Alkyl","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":[0.0005688041,0.001213841,0.0004877838,0.0004721639,0.0003028686,0.0005150356,0.0009112079,0.00063585,0.003603806],"category_scores_gemma":[0.0007762079,0.0004672002,0.0005162999,0.0005624445,0.000493185,0.0007399205,0.001159841,0.001755111,0.002287359],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004104845,"about_ca_system_score_gemma":0.0005025985,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004048545,"about_ca_topic_score_gemma":0.001076828,"domain_scores_codex":[0.9994693,0.00007388018,0.00004079934,0.0001550989,0.000115911,0.0001449923],"domain_scores_gemma":[0.9997105,0.00006058399,0.00006882628,0.00006565182,0.00004421826,0.00005012947],"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":[0.0002400166,0.0001543015,0.0004268611,0.0004587988,0.000127797,0.001009841,0.0003491699,0.002002265,0.9457355,0.01131867,0.001231735,0.03694492],"study_design_scores_gemma":[0.00002085454,0.0002329733,0.0002343757,0.00001537986,0.00003273854,0.0004447486,0.00001858159,0.001019528,0.9875885,0.0005944247,0.009773755,0.00002420533],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5892089,0.008060261,0.3341797,0.0004511362,0.0004690645,0.0006885327,0.00112209,0.002291932,0.06352835],"genre_scores_gemma":[0.8986522,0.005236831,0.08514962,0.0002567655,0.00005938379,0.0002445867,0.0008653753,0.0002758267,0.009259483],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003603806,"threshold_uncertainty_score":0.01205599,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02345137644448076,"score_gpt":0.3404693114405737,"score_spread":0.317017934996093,"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."}}