{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005296821,0.0003827638,0.0001992008,0.0001850824,0.000149447,0.0005035208,0.0004776462,0.0006273797,0.002009905],"category_scores_gemma":[0.0007108164,0.0001622844,0.0002585326,0.0001253138,0.0004803048,0.0004354491,0.0005403885,0.0008153407,0.0005922345],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004109328,"about_ca_system_score_gemma":0.0003794766,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004438522,"about_ca_topic_score_gemma":0.000846262,"domain_scores_codex":[0.9997407,0.00003774736,0.000005585802,0.0000766475,0.00008536656,0.00005396781],"domain_scores_gemma":[0.9998087,0.00006606453,0.00002138869,0.0000234625,0.00004674457,0.00003373313],"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":[0.0001683517,0.0001198248,0.0003849509,0.0001102617,0.00002143652,0.0001118974,0.00008438541,0.0002509964,0.9644934,0.005158623,0.001793365,0.02730259],"study_design_scores_gemma":[0.00001959898,0.000237546,0.0005032312,0.000007903541,0.000009271229,0.0001252458,0.00002180342,0.001514892,0.9801139,0.0006065602,0.01683071,0.000009194115],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7339641,0.01126668,0.2149673,0.004683461,0.001218915,0.0004148368,0.0007235837,0.002400385,0.03036075],"genre_scores_gemma":[0.9456193,0.002528839,0.03054313,0.00072517,0.0001044001,0.000135741,0.0003421719,0.0001623483,0.0198389],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002009905,"threshold_uncertainty_score":0.006723762,"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."}}