{"id":"W4321600884","doi":"10.21203/rs.3.rs-2602958/v1","title":"Regioselective Radical Alkylation of Arenes Using Evolved Photoenzymes","year":2023,"lang":"en","type":"preprint","venue":"Research Square","topic":"Radical Photochemical Reactions","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Basic Energy Sciences; Division of Chemistry; Division of Materials Research; National Institute of General Medical Sciences; Natural Sciences and Engineering Research Council of Canada; Empire State Development Corporation; U.S. Department of Energy; National Institutes of Health; National Science Foundation","keywords":"Regioselectivity; Alkylation; Chemistry; Computer science; Organic chemistry; Catalysis","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003660352,0.0003897997,0.0002192319,0.0001483972,0.0001356036,0.0003066802,0.0002894886,0.0002538428,0.001231487],"category_scores_gemma":[0.0003416079,0.0001057863,0.0002168527,0.0002182947,0.0002796942,0.0002616489,0.0003140488,0.0007657526,0.0004401466],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003589253,"about_ca_system_score_gemma":0.0001470671,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004854241,"about_ca_topic_score_gemma":0.0005650963,"domain_scores_codex":[0.9998216,0.00002402676,0.0000186233,0.00004841455,0.00004895009,0.00003836761],"domain_scores_gemma":[0.9998413,0.00003417213,0.00004908039,0.00003178796,0.0000240862,0.00001950497],"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":[0.00004228031,0.00005170411,0.0001069663,0.0000452621,0.000009177332,0.00004994035,0.0000290023,0.0003243385,0.9965907,0.0004198617,0.00007370422,0.002257056],"study_design_scores_gemma":[0.000006546682,0.00008311561,0.0002167955,0.000001459704,0.000003922396,0.00004704562,0.000004832324,0.0006483056,0.9980507,0.00003160944,0.0009023934,0.000003324697],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"other","genre_scores_codex":[0.9842625,0.0005447395,0.01187907,0.0001191165,0.00005997826,0.00005464615,0.000180313,0.0001805053,0.002719143],"genre_scores_gemma":[0.9886157,0.0004679307,0.007333163,0.0000304231,0.0000113398,0.00001965232,0.0002220885,0.00006622329,0.003233521],"genre_candidate":"other","genre_consensus":null,"teacher_disagreement_score":0.001231487,"threshold_uncertainty_score":0.004119754,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1975046241351466,"score_gpt":0.4473381671188403,"score_spread":0.2498335429836937,"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."}}