{"id":"W3040996354","doi":"10.1016/j.ica.2020.119884","title":"Understanding the mechanism of cis–trans isomerism in photo-active palladium(II) complexes derived from the N,N-di-substituted benzoylthioureas","year":2020,"lang":"en","type":"article","venue":"Inorganica Chimica Acta","topic":"Metal complexes synthesis and properties","field":"Medicine","cited_by":7,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Universiteit Stellenbosch; National Research Foundation; York University","keywords":"Chemistry; Isomerization; Photostationary state; Cis–trans isomerism; Photochemistry; Substituent; Pyridine; Photodissociation; Associative substitution; Acetonitrile; Stereochemistry; Medicinal chemistry; Catalysis; Photoisomerization; 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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0002202062,0.0003196215,0.000701631,0.00005212456,0.0003232397,0.00004265794,0.0006313252,0.0001414394,0.0009242123],"category_scores_gemma":[0.0003690458,0.0001812634,0.0002005405,0.0004320856,0.0003012633,0.0001040662,0.0002009306,0.0005977975,0.00001261743],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001052265,"about_ca_system_score_gemma":0.0001583276,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004614058,"about_ca_topic_score_gemma":0.0003579237,"domain_scores_codex":[0.9979244,0.0002722477,0.0005877686,0.0004232572,0.0004349062,0.0003573784],"domain_scores_gemma":[0.9983386,0.0006230259,0.0002388692,0.0005773877,0.00006609978,0.0001560416],"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":[0.0006528582,0.0001075852,0.0003873917,0.00003126391,0.0002651673,0.000003344955,0.01170762,0.000001519014,0.9848439,0.001701139,0.0002782656,0.00002001933],"study_design_scores_gemma":[0.002380241,0.0004729295,0.03137828,0.0003160689,0.000456522,0.00002461754,0.008501804,0.00139788,0.948497,0.004284643,0.001850904,0.0004390904],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9670686,0.0002084598,0.0007628503,0.02933784,0.0001312591,0.0007917461,0.0001336746,0.00007054906,0.001495038],"genre_scores_gemma":[0.9963518,0.000170335,0.0002433364,0.002947106,0.0001644993,0.00001812617,0.00004162795,0.00005171023,0.00001143312],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03634682,"threshold_uncertainty_score":0.9999891,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1181744034486071,"score_gpt":0.2571447817510549,"score_spread":0.1389703783024478,"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."}}