{"id":"W4321610467","doi":"10.1038/s41598-023-29386-2","title":"Novel Bromo and methoxy substituted Schiff base complexes of Mn(II), Fe(III), and Cr(III) for anticancer, antimicrobial, docking, and ADMET studies","year":2023,"lang":"en","type":"article","venue":"Scientific Reports","topic":"Metal complexes synthesis and properties","field":"Medicine","cited_by":74,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Prince Edward Island","funders":"King Saud University","keywords":"Schiff base; Chemistry; Phenol; Cytotoxicity; Docking (animal); Metal; Stereochemistry; HOMO/LUMO; Nuclear chemistry; In vitro; Medicinal chemistry; Molecule; Organic chemistry; Biochemistry","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":[0.002439672,0.0002441519,0.000840008,0.0003415128,0.0006573854,0.0001525893,0.00006943368,0.00006697948,0.00002193264],"category_scores_gemma":[0.0008968042,0.0001829388,0.00009420596,0.0005046398,0.00127918,0.0001748466,0.0002852744,0.00009694186,7.971852e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001517307,"about_ca_system_score_gemma":0.0001066449,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001261924,"about_ca_topic_score_gemma":0.00007054571,"domain_scores_codex":[0.997669,0.0000496194,0.0007209945,0.0008416595,0.0003572169,0.0003614583],"domain_scores_gemma":[0.9983586,0.0002461887,0.0003444457,0.0005289718,0.0003614692,0.0001602902],"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":[0.0001543542,0.00008331941,0.002180816,0.0009397066,0.0002105334,0.00004939446,0.00138929,0.000003861266,0.9803315,0.0001999579,0.0126278,0.001829466],"study_design_scores_gemma":[0.002657378,0.0003910812,0.01073507,0.001485726,0.0007663201,0.00141481,0.001769572,0.001772826,0.9258508,0.002547652,0.049986,0.0006227457],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9915854,0.005319041,0.0001903491,0.000542904,0.001370283,0.0007745909,0.00004932046,0.00007661764,0.00009154528],"genre_scores_gemma":[0.9898722,0.0006184597,0.007498323,0.00005961779,0.00006998359,0.00003181715,0.0000653399,0.00002712665,0.001757154],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05448068,"threshold_uncertainty_score":0.7460026,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1263543442544973,"score_gpt":0.3457612658492237,"score_spread":0.2194069215947264,"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."}}