{"id":"W4411795329","doi":"10.1039/d5cc02152a","title":"Computational design of gallium imides for methane activation","year":2025,"lang":"en","type":"article","venue":"Chemical Communications","topic":"Silicon Nanostructures and Photoluminescence","field":"Materials Science","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval; McGill University","funders":"Fonds de recherche du Québec – Nature et technologies; Natural Sciences and Engineering Research Council of Canada","keywords":"Gallium; Methane; Chemistry; Chemical engineering; Materials science; Organic chemistry; Engineering","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":[0.0003396423,0.0005443448,0.0008340195,0.0006586814,0.000418952,0.0006774502,0.0008218458,0.00107289,0.005355627],"category_scores_gemma":[0.001030894,0.0004241133,0.0005824266,0.0004963051,0.0004093261,0.000413334,0.0004929545,0.0006903427,0.0003920571],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007407639,"about_ca_system_score_gemma":0.001593261,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004073352,"about_ca_topic_score_gemma":0.007513792,"domain_scores_codex":[0.999929,0.00002419934,0.000002190234,0.000009038735,0.00001615098,0.00001960601],"domain_scores_gemma":[0.9997644,0.0001585402,0.00001499747,0.00001174326,0.00002838398,0.00002195698],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001058281,0.00003696882,0.0004786907,0.0001062926,0.00003824447,0.00009147428,0.00001685004,0.9890919,0.0005711252,0.005602408,0.0009159331,0.002944245],"study_design_scores_gemma":[0.0000673012,0.00003200252,0.0001034591,0.00000801261,0.00001328547,0.000006635482,0.00002304391,0.9961691,0.0002364957,0.00235786,0.0009795788,0.000003161326],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7845588,0.003033522,0.100613,0.002439129,0.0003390822,0.0004038109,0.003070864,0.00083333,0.1047084],"genre_scores_gemma":[0.940406,0.0004999774,0.05019959,0.0003484706,0.00003268244,0.0006164789,0.001304098,0.0001273901,0.006465161],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005355627,"threshold_uncertainty_score":0.01791638,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0465452740529062,"score_gpt":0.3269948573945219,"score_spread":0.2804495833416157,"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."}}