{"id":"W4413327690","doi":"10.1016/j.molstruc.2025.143687","title":"Green synthesis, characterization, DFT, molecular docking, cytotoxicity, and DNA binding studies of mono- and polynuclear salpn Schiff base complexes","year":2025,"lang":"en","type":"article","venue":"Journal of Molecular Structure","topic":"Metal complexes synthesis and properties","field":"Medicine","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Faculté de pharmacie, Université de Montréal; Universiti Kebangsaan Malaysia; Ministry of Higher Education, Malaysia; Universiti Teknologi MARA; Prince Sattam bin Abdulaziz University","keywords":"Chemistry; Schiff base; Cytotoxicity; DNA; Stereochemistry; Docking (animal); Combinatorial chemistry; Biochemistry; In vitro","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":[],"consensus_categories":[],"category_scores_codex":[0.0002907882,0.000238478,0.0008296648,0.0003808928,0.0001133624,0.00004676972,0.0001374582,0.0001018341,0.00003259115],"category_scores_gemma":[0.0004961976,0.0001724124,0.0001455304,0.0002076094,0.0002078589,0.0001129949,0.0001484063,0.000255848,2.5342e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002847358,"about_ca_system_score_gemma":0.00006819517,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001170367,"about_ca_topic_score_gemma":0.000002304106,"domain_scores_codex":[0.9984686,0.0001785977,0.000615728,0.0002069381,0.0003510403,0.0001790359],"domain_scores_gemma":[0.9988159,0.00009727757,0.0004516821,0.0002229187,0.0003016431,0.0001106006],"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":[0.0002201959,0.00002566347,0.003401924,0.0005797754,0.0007441727,0.00008375777,0.0002925449,0.000005560742,0.991585,0.0005705831,0.00004286329,0.002447948],"study_design_scores_gemma":[0.0006584895,0.0002447931,0.02606297,0.00113724,0.0006262854,0.0003612241,0.0003569568,0.00009774115,0.9688656,0.0009333706,0.0004939506,0.0001614183],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9908305,0.00697465,0.0002914753,0.00152007,0.00008097225,0.0001895326,0.00003083372,0.000009856734,0.00007207305],"genre_scores_gemma":[0.9967413,0.0005433728,0.002152549,0.0004475278,0.00004884576,0.000001388113,0.000003613696,0.00002602539,0.00003539523],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02271945,"threshold_uncertainty_score":0.7030774,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02087171191705293,"score_gpt":0.2772969894510822,"score_spread":0.2564252775340292,"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."}}