{"id":"W2922302318","doi":"10.1101/570002","title":"Anti-tubercular activity of novel 4-anilinoquinolines and 4-anilinoquinazolines","year":2019,"lang":"en","type":"preprint","venue":"bioRxiv (Cold Spring Harbor Laboratory)","topic":"Quinazolinone synthesis and applications","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Novartis Pharma; University of North Carolina at Chapel Hill; National Institutes of Health; Ministero dello Sviluppo Economico; Fundação de Amparo à Pesquisa do Estado de São Paulo; European Federation of Pharmaceutical Industries and Associations; Merck KGaA; Ontario Ministry of Economic Development and Innovation; Genome Canada; National Institute of Allergy and Infectious Diseases; Pfizer","keywords":"Quinoline; Quinazoline; Mycobacterium tuberculosis; Combinatorial chemistry; Ring (chemistry); Aniline; Stereochemistry; Chemistry; Potency; Amine gas treating; Computational biology; Biochemistry; Tuberculosis; Biology; Medicine; Organic chemistry; In vitro","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.000389593,0.0008118977,0.001321748,0.0002138028,0.0001511484,0.000130278,0.0007674461,0.001007199,0.0001222589],"category_scores_gemma":[0.0002227284,0.000860933,0.0003251027,0.0002963918,0.0003042041,0.0001549724,0.0008665646,0.00087302,0.00002879109],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00011876,"about_ca_system_score_gemma":0.0004860643,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001397693,"about_ca_topic_score_gemma":0.000002410185,"domain_scores_codex":[0.9966249,0.00003879716,0.0008203583,0.001421029,0.000491425,0.0006034283],"domain_scores_gemma":[0.9957229,0.0001806132,0.000893259,0.002301826,0.0006439675,0.0002574297],"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":[0.00002525095,0.0005739772,0.009053102,0.001948388,0.00022387,0.000005182249,0.000007209226,0.0004778221,0.9869791,0.000656025,0.00004140317,0.000008642945],"study_design_scores_gemma":[0.0006507302,0.00001699128,0.03790734,0.0005728385,0.0002974632,6.720764e-8,0.000004365439,0.005860182,0.952033,0.00000255849,0.00175822,0.0008962231],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9954433,0.001489209,0.0008298904,0.0001827883,0.00032032,0.000443888,0.0009388765,0.0002864292,0.0000652473],"genre_scores_gemma":[0.9956139,0.0008109325,0.002608422,0.00003933344,0.0005761844,0.0001587524,9.281691e-7,0.0001802029,0.00001131571],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0349461,"threshold_uncertainty_score":0.9993842,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01851066454155506,"score_gpt":0.2346054362472281,"score_spread":0.216094771705673,"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."}}