{"id":"W4410205073","doi":"10.1016/j.molstruc.2025.142611","title":"Design, synthesis and in vitro and evaluation of novel nalidixic acid derivatives as potent ectonucleotidases inhibitors","year":2025,"lang":"en","type":"article","venue":"Journal of Molecular Structure","topic":"Click Chemistry and Applications","field":"Chemistry","cited_by":5,"is_retracted":false,"has_abstract":false,"ca_institutions":"Université Laval","funders":"Deanship of Scientific Research, King Saud University; Natural Sciences and Engineering Research Council of Canada; Fonds de recherche du Québec","keywords":"Chemistry; Nalidixic acid; In vitro; Combinatorial chemistry; Pharmacology; Biochemistry; Antibiotics; Ciprofloxacin","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002088717,0.0002939972,0.0002368181,0.0001359365,0.0001479915,0.0003096268,0.0003248202,0.0002423259,0.0009376656],"category_scores_gemma":[0.0001766294,0.0001574381,0.0001647613,0.0001042608,0.0001283545,0.0001880155,0.0001541617,0.0003851582,0.0002925402],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004102016,"about_ca_system_score_gemma":0.0002476974,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006456911,"about_ca_topic_score_gemma":0.001998481,"domain_scores_codex":[0.9999138,0.00001796004,0.000009215321,0.00001086773,0.00002788724,0.00002033677],"domain_scores_gemma":[0.9999377,0.00001041733,0.00001773779,0.000006328176,0.00001318715,0.00001462842],"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":[0.0002573462,0.0001025847,0.0001258531,0.000108004,0.00001558614,0.0001195167,0.0000279768,0.001389541,0.9906539,0.0004178599,0.0001634961,0.006618327],"study_design_scores_gemma":[0.0000597734,0.0008205916,0.0004087701,0.000007464941,0.00002491103,0.0001339235,0.00001228398,0.001358376,0.9913384,0.00003038441,0.0057973,0.000007803988],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9686801,0.008343434,0.01652801,0.0002316662,0.00009986288,0.0003196017,0.0006460967,0.0001621026,0.004989098],"genre_scores_gemma":[0.9797959,0.004254083,0.009890194,0.00005662981,0.00001672251,0.00010216,0.0006485897,0.00001595706,0.005219655],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009376656,"threshold_uncertainty_score":0.003136814,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01557836188131694,"score_gpt":0.2802524986983729,"score_spread":0.264674136817056,"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."}}