{"id":"W2967809110","doi":"10.1039/c9cc05139b","title":"Promoting proton coupled electron transfer in redox catalysts through molecular design","year":2019,"lang":"en","type":"article","venue":"Chemical Communications","topic":"Metalloenzymes and iron-sulfur proteins","field":"Energy","cited_by":73,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Canadian Institute for Advanced Research; Basic Energy Sciences; Camille and Henry Dreyfus Foundation; Alfred P. Sloan Foundation","keywords":"Redox; Proton-coupled electron transfer; Catalysis; Electron transfer; Proton; Chemistry; Electron; Photochemistry; Combinatorial chemistry; Inorganic chemistry; Organic chemistry; Physics","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003280128,0.0001913471,0.0002884466,0.00004709839,0.00007195627,0.00003300577,0.001035691,0.0001585256,0.00009867865],"category_scores_gemma":[0.00009352892,0.000187361,0.0001038559,0.0003834307,0.00008854591,0.000170698,0.0001816184,0.0005075063,0.0001494833],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001227359,"about_ca_system_score_gemma":0.00007096774,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004846765,"about_ca_topic_score_gemma":0.00005148058,"domain_scores_codex":[0.998471,0.0002152733,0.0004270737,0.0003158469,0.0001913829,0.0003793929],"domain_scores_gemma":[0.9978039,0.0001285195,0.00005395926,0.001887389,0.00006016474,0.00006604778],"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":[0.00002614865,0.0002211105,0.00005222084,0.00005075429,0.00002497153,0.000001198228,0.0008372751,0.00006441228,0.9757414,0.02263314,0.0000187314,0.0003285926],"study_design_scores_gemma":[0.0006976083,0.00005935633,0.00002379658,0.00007560701,0.00001972414,0.000004921352,0.00003396109,0.007386309,0.9792303,0.004067021,0.008159592,0.0002417814],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9723278,0.001433162,0.002907992,0.002218599,0.00002415325,0.002657725,0.000002954267,0.0001570638,0.01827054],"genre_scores_gemma":[0.9914815,0.000113443,0.007120213,0.0001566845,0.00001390857,0.0007408952,0.0001409395,0.00004575279,0.0001865977],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01915376,"threshold_uncertainty_score":0.7640358,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02722607354486442,"score_gpt":0.2722215392954446,"score_spread":0.2449954657505802,"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."}}