{"id":"W2890992583","doi":"10.1021/acs.joc.8b01856","title":"Controlling Isomerization Selectivity in Chiral, Photochromic N,C-Chelate Organoboron Systems with Extended π-Conjugation","year":2018,"lang":"en","type":"article","venue":"The Journal of Organic Chemistry","topic":"Photochromic and Fluorescence Chemistry","field":"Materials Science","cited_by":15,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Photochromism; Isomerization; Regioselectivity; Substituent; Photochemistry; Chemistry; Phosphole; Alkyne; Boron; Delocalized electron; Chromophore; Chelation; Molecule; Polymer chemistry; Organic chemistry; Catalysis","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0009277327,0.0001862828,0.0003396116,0.0000277732,0.0001353226,0.00006887533,0.0004208621,0.000118662,0.000683155],"category_scores_gemma":[0.0001384367,0.0001235605,0.00003590042,0.0002965903,0.0002419128,0.0002645715,0.0000393893,0.0003110932,0.00002139476],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002773018,"about_ca_system_score_gemma":0.0003416401,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001935821,"about_ca_topic_score_gemma":0.00000545501,"domain_scores_codex":[0.9986077,0.00007144815,0.0005259301,0.0001779796,0.0003393272,0.0002776007],"domain_scores_gemma":[0.9986013,0.00008327996,0.0006923524,0.0002728255,0.0002693286,0.00008095497],"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":[0.0004040026,0.00006156276,0.0003621812,0.00005546019,0.00001832597,0.000008079658,0.0004817539,0.00008331881,0.9984645,0.0000012337,0.00004097185,0.00001856872],"study_design_scores_gemma":[0.001443495,0.00009618184,0.0007596752,0.0002213671,0.00005329197,0.0006016262,0.0003944322,0.0009453036,0.9952604,0.00006128729,0.000009596457,0.0001533173],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9961561,0.0001887077,0.00288953,0.00006764689,0.0001407793,0.0001867031,0.000004172077,0.00002414033,0.0003421972],"genre_scores_gemma":[0.9992024,0.00004630696,0.0001278295,0.00002959288,0.0004454897,0.000003837412,0.000002555919,0.00002558799,0.000116449],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003204115,"threshold_uncertainty_score":0.7480069,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005351991155061511,"score_gpt":0.2090199762825024,"score_spread":0.2036679851274408,"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."}}