{"id":"W3156835628","doi":"10.1039/d1nj01491a","title":"Heteroleptic enantiopure Pd(<scp>ii</scp>)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","year":2021,"lang":"en","type":"article","venue":"New Journal of Chemistry","topic":"Metal complexes synthesis and properties","field":"Medicine","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Winnipeg; University of Manitoba","funders":"Fundação para a Ciência e a Tecnologia; University of Isfahan","keywords":"Chemistry; Enantiopure drug; Halogen; Chirality (physics); Characterization (materials science); Combinatorial chemistry; Polymer chemistry; Stereochemistry; Enantioselective synthesis; Organic chemistry; Nanotechnology; Catalysis","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001447499,0.0001295647,0.0003328231,0.00001863971,0.0001150073,0.00002960392,0.00006072095,0.0000594073,0.00001179837],"category_scores_gemma":[0.0004738166,0.00007850076,0.00004588345,0.00006462637,0.0003935588,0.0001196693,0.00007187117,0.0001359913,4.103441e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001307417,"about_ca_system_score_gemma":0.0001113142,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002851861,"about_ca_topic_score_gemma":0.000001992432,"domain_scores_codex":[0.9991155,0.0000958075,0.0003095249,0.0001509744,0.0002492031,0.00007903545],"domain_scores_gemma":[0.9989063,0.0003649768,0.0003964205,0.0001231503,0.0001266805,0.0000824845],"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":[0.00008659605,0.00004504506,0.05256071,0.0001310896,0.00009646077,0.000001637555,0.0003670356,0.000009647244,0.9461685,0.00001625776,0.000003872423,0.0005131174],"study_design_scores_gemma":[0.0002725624,0.00002799598,0.4515023,0.0003284671,0.00006271521,0.00006048483,0.00007697562,0.00009461909,0.5474605,0.00008028538,0.000009299442,0.00002386826],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9977515,0.001378523,0.00004662094,0.0006553444,0.00001844207,0.00009723536,0.00003789967,0.00000288989,0.00001153295],"genre_scores_gemma":[0.9992455,0.0001755074,0.000370196,0.0001231612,0.00005689013,0.000002224722,0.000007818722,0.000007255672,0.00001150219],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3989415,"threshold_uncertainty_score":0.3201168,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0240460458071116,"score_gpt":0.2384666475537782,"score_spread":0.2144206017466667,"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."}}