{"id":"W3108913263","doi":"10.1039/d0nj03800h","title":"Investigation of biological activity of 2,3-disubstituted quinazolin-4(1<i>H</i>)-ones against <i>Mycobacterium tuberculosis</i> and DNA <i>via</i> docking, spectroscopy and DFT studies","year":2020,"lang":"en","type":"article","venue":"New Journal of Chemistry","topic":"Quinazolinone synthesis and applications","field":"Chemistry","cited_by":44,"is_retracted":false,"has_abstract":true,"ca_institutions":"Horizon College and Seminary","funders":"King Saud University","keywords":"Chemistry; Mycobacterium tuberculosis; Docking (animal); Stereochemistry; DNA; Combinatorial chemistry; Computational chemistry; Tuberculosis; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00007224008,0.0002283699,0.0002159373,0.0001151596,0.0001048094,0.00007980798,0.0002517101,0.0001394618,0.001609419],"category_scores_gemma":[0.0001378919,0.0000696705,0.0001451129,0.0001252446,0.0000897014,0.0001104786,0.00008035414,0.0001983977,0.0001445153],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001260741,"about_ca_system_score_gemma":0.0001166583,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001290427,"about_ca_topic_score_gemma":0.001770718,"domain_scores_codex":[0.9999735,0.000005507196,0.000001271184,0.000005101588,0.000007318721,0.000007267558],"domain_scores_gemma":[0.9999558,0.00001532011,0.00001026376,0.000002582125,0.000009898966,0.000006228837],"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":[0.0007964097,0.0002271188,0.001360056,0.0006336962,0.00005226039,0.000281571,0.0000782392,0.01815795,0.9638467,0.0007175892,0.0007628305,0.01308556],"study_design_scores_gemma":[0.0001798217,0.008217352,0.01328876,0.00005220971,0.0001443447,0.0005358624,0.0001571093,0.04215809,0.9267275,0.0004236685,0.008037155,0.00007802986],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9933697,0.0037831,0.0008339962,0.0001135689,0.00002433614,0.000016254,0.0003791991,0.00003950966,0.001440263],"genre_scores_gemma":[0.9964333,0.00147226,0.0006209885,0.00002628226,0.000003999924,0.0000103404,0.0002779543,0.00000392227,0.001150905],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001609419,"threshold_uncertainty_score":0.005384028,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03573038592697136,"score_gpt":0.2639316684522658,"score_spread":0.2282012825252945,"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."}}