{"id":"W4416520292","doi":"10.1016/j.joule.2025.102213","title":"Accelerated discovery of CO2-to-C3-hydrocarbon electrocatalysts with human-in-the-loop","year":2025,"lang":"en","type":"article","venue":"Joule","topic":"CO2 Reduction Techniques and Catalysts","field":"Energy","cited_by":4,"is_retracted":false,"has_abstract":false,"ca_institutions":"Structural Genomics Consortium; Discovery Centre; University of Toronto","funders":"National Research Council Canada; Ministry of Science and ICT, South Korea; Total; National Research Foundation of Korea; University of Toronto; Government of Canada","keywords":"Electrosynthesis; Domain (mathematical analysis); Coupling (piping); Feature (linguistics); Acceleration; 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":[0.000167826,0.0001401531,0.0002354469,0.0002273997,0.00006580676,0.00005091865,0.0003041347,0.00007242153,0.00002775303],"category_scores_gemma":[0.00001539012,0.0001000462,0.00006499176,0.001094872,0.00003847228,0.0001414377,0.00004697873,0.0001704235,0.00000917034],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007479723,"about_ca_system_score_gemma":0.00006662637,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001703074,"about_ca_topic_score_gemma":0.001349681,"domain_scores_codex":[0.9990059,0.00004402828,0.0002823475,0.0002396328,0.0002025626,0.0002255538],"domain_scores_gemma":[0.9993643,0.0000266981,0.00008032333,0.0004484773,0.00005365214,0.00002657782],"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":[0.0004575051,0.0009164501,0.003427716,0.0001854347,0.000261919,0.00005007381,0.001066018,0.0009788796,0.8679312,0.09491125,0.01943912,0.01037441],"study_design_scores_gemma":[0.0008243366,0.0003673004,0.007615156,0.0001550401,0.00007049186,0.00001820474,0.0003656937,0.00008484687,0.9702574,0.002871809,0.0170823,0.0002874112],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9579068,0.0001129602,0.0004049945,0.0005376666,0.00005721887,0.0002397817,0.000002414403,0.0000806749,0.04065746],"genre_scores_gemma":[0.9926405,0.00001391283,0.0000500684,0.0003167141,0.0000408041,0.00007070105,0.00003228131,0.00001518151,0.006819834],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1023262,"threshold_uncertainty_score":0.4079766,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0128138291050812,"score_gpt":0.2772683455559836,"score_spread":0.2644545164509024,"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."}}