{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001595628,0.0002291638,0.000649182,0.00002158852,0.00006135395,0.00001923761,0.000185177,0.0001652856,0.00004230567],"category_scores_gemma":[0.0002193244,0.0001926197,0.0001287035,0.0001381624,0.0003844352,0.0001435701,0.00008775049,0.0002892237,4.199762e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002962141,"about_ca_system_score_gemma":0.0001106824,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00000702527,"about_ca_topic_score_gemma":8.568621e-7,"domain_scores_codex":[0.998661,0.00002234789,0.0006573721,0.0002494217,0.0002338113,0.000176051],"domain_scores_gemma":[0.9982782,0.0001791015,0.000900676,0.0001762127,0.0002025407,0.0002632577],"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":[0.000131453,0.00005015652,0.008301635,0.0006365841,0.0001548707,0.000004367631,0.000377452,0.000005257575,0.9889507,0.000009991894,0.0002845094,0.001093061],"study_design_scores_gemma":[0.0006610599,0.00004688184,0.001612736,0.0002445671,0.0001129537,0.0000581621,0.0002418752,0.00002507995,0.9961141,0.0003134062,0.0004061137,0.0001631062],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9955361,0.002423211,0.00007747368,0.00128562,0.00002413855,0.00004545119,0.00003197108,0.00001705856,0.0005590018],"genre_scores_gemma":[0.9958456,0.002868062,0.0007932166,0.00008990178,0.0003704634,0.000002685869,0.000006309649,0.00001478266,0.000009047066],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007163397,"threshold_uncertainty_score":0.7854801,"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."}}