{"id":"W4412421549","doi":"10.3390/ijms26146752","title":"In Silico Evaluation of Quinolone–Triazole and Conazole–Triazole Hybrids as Promising Antimicrobial and Anticancer Agents","year":2025,"lang":"en","type":"article","venue":"International Journal of Molecular Sciences","topic":"Click Chemistry and Applications","field":"Chemistry","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland","funders":"Alliance de recherche numérique du Canada; Al-Imam Muhammad Ibn Saud Islamic University","keywords":"Antimicrobial; Chemistry; Quinolone; Fluconazole; ADME; Pharmacology; Biology; Microbiology; Drug; Antibiotics; Biochemistry","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":[0.0004805163,0.001274648,0.001780122,0.0007532724,0.0007023518,0.001020475,0.001053341,0.00106446,0.003639649],"category_scores_gemma":[0.0009645724,0.0005040379,0.001511472,0.0007261245,0.0003866103,0.0007210132,0.0006668395,0.0008474744,0.0003977612],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008616721,"about_ca_system_score_gemma":0.001006712,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.008639206,"about_ca_topic_score_gemma":0.009590143,"domain_scores_codex":[0.9997992,0.00005312516,0.00001062578,0.00003139563,0.00004899681,0.00005668648],"domain_scores_gemma":[0.9995479,0.0002826975,0.00003993764,0.00001831994,0.00006601751,0.00004508271],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0005578633,0.0003794311,0.005686744,0.0006919883,0.0003814866,0.0005850449,0.00006710061,0.9705767,0.01069786,0.003171099,0.001738039,0.005466675],"study_design_scores_gemma":[0.0001099173,0.000445503,0.0009287766,0.00002954445,0.0001226792,0.00005411921,0.00007118221,0.9940313,0.002129424,0.0007019899,0.001356936,0.00001869803],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9731169,0.004816996,0.005601719,0.000606701,0.0001384119,0.00007860618,0.001415527,0.0002372078,0.01398796],"genre_scores_gemma":[0.9883341,0.001904987,0.006479118,0.0002122461,0.00003054538,0.0001437137,0.001480861,0.00005493169,0.00135965],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008639206,"threshold_uncertainty_score":0.01717788,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02490661875782997,"score_gpt":0.3674288992868904,"score_spread":0.3425222805290605,"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."}}