{"id":"W2000393030","doi":"10.1021/ja051590+","title":"Dithiolato-Bridged Dinuclear Iron−Nickel Complexes [Fe(CO)<sub>2</sub>(CN)<sub>2</sub>(μ-SCH<sub>2</sub>CH<sub>2</sub>CH<sub>2</sub>S)Ni(S<sub>2</sub>CNR<sub>2</sub>)]<sup>-</sup>Modeling the Active Site of [NiFe] Hydrogenase","year":2005,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Metalloenzymes and iron-sulfur proteins","field":"Energy","cited_by":145,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Centre National de la Recherche Scientifique; University of Alberta","keywords":"Chemistry; Hydrogenase; Nickel; Crystallography; Center (category theory); Hydrogen; Inorganic chemistry; Stereochemistry; Organic chemistry","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":["metaepi_narrow","metaepi_broad","sts","scholarly_communication","open_science","research_integrity","insufficient_payload"],"consensus_categories":["metaepi_narrow","sts","research_integrity"],"category_scores_codex":[0.00680567,0.007041936,0.009533175,0.00131278,0.004286246,0.001528861,0.008818727,0.003322995,0.0001359744],"category_scores_gemma":[0.002526846,0.005958777,0.01143214,0.006430241,0.006961982,0.004078162,0.004710826,0.01311798,0.001290749],"about_ca_system_candidate":true,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.005279251,"about_ca_system_score_gemma":0.002550605,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005213046,"about_ca_topic_score_gemma":0.0004141047,"domain_scores_codex":[0.9618268,0.004001665,0.01059495,0.006038028,0.009047459,0.008491069],"domain_scores_gemma":[0.9696622,0.003185471,0.01235452,0.007093512,0.003083251,0.004621054],"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":[0.003091706,0.003339263,0.0003641174,0.0006550096,0.004828222,0.0002426142,0.004205325,0.02821996,0.8981337,0.0003534305,0.02227526,0.03429142],"study_design_scores_gemma":[0.008735,0.001704456,0.001016144,0.001567753,0.00337793,0.001463935,0.003693481,0.0334574,0.9344993,0.001344594,0.002887156,0.006252897],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9812699,0.003244041,0.001649527,0.004979108,0.001666922,0.00407843,0.001536955,0.001112368,0.0004627251],"genre_scores_gemma":[0.9676958,0.01347643,0.001408397,0.006814712,0.007310889,0.0005094947,0.0006015811,0.002148857,0.00003385734],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03636558,"threshold_uncertainty_score":0.9995077,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01311280315445763,"score_gpt":0.2307053168518472,"score_spread":0.2175925136973896,"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."}}