{"id":"W2324851203","doi":"10.1021/ic402574d","title":"A Novel Square-Planar Ni(II) Complex with an Amino—Carboxamido—Dithiolato-Type Ligand as an Active-Site Model of NiSOD","year":2014,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Metal-Catalyzed Oxygenation Mechanisms","field":"Chemistry","cited_by":35,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Information Technology Center, Nagoya University; Japan Society for the Promotion of Science; Ryerson University","keywords":"Chemistry; Disproportionation; Ligand (biochemistry); Superoxide; Electron paramagnetic resonance; Active site; Redox; Nickel; Hydrogen bond; Photochemistry; Resonance (particle physics); Electrophile; Stereochemistry; Medicinal chemistry; Inorganic chemistry; Crystallography; Molecule; Nuclear magnetic resonance; Organic chemistry; Catalysis","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008047177,0.0002919159,0.0003197345,0.0000945302,0.000163741,0.0002499643,0.0006814912,0.0004499,0.0005756837],"category_scores_gemma":[0.0001289075,0.0001396262,0.00008349684,0.0001325349,0.0002055873,0.0002169119,0.0002327607,0.0003245377,0.0001601694],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003827425,"about_ca_system_score_gemma":0.0001730158,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007159321,"about_ca_topic_score_gemma":0.0009948697,"domain_scores_codex":[0.9999126,0.00001255535,0.000005885813,0.00002668457,0.00002986495,0.00001239876],"domain_scores_gemma":[0.9999629,0.000005817462,0.000008243834,0.000003014435,0.000006920257,0.00001309408],"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":[0.00009109032,0.00003268875,0.0001640592,0.0001201566,0.000009470959,0.00008003008,0.0000403685,0.0004631835,0.9973347,0.0003063966,0.0001094125,0.001248438],"study_design_scores_gemma":[0.00007208917,0.0003673649,0.0008692579,0.000005669933,0.00002330733,0.0002715741,0.0000755251,0.009315337,0.9840567,0.0001373154,0.004785487,0.00002024221],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9902033,0.0009080633,0.007090203,0.0002274204,0.0000254317,0.00005623335,0.0001187469,0.0001228404,0.001247954],"genre_scores_gemma":[0.9896003,0.0003510947,0.008714949,0.00007801654,0.000005135111,0.00003503303,0.0002793203,0.00001131164,0.0009249077],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007159321,"threshold_uncertainty_score":0.00277698,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02311249575655095,"score_gpt":0.2409371471524735,"score_spread":0.2178246513959226,"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."}}