{"id":"W2000546717","doi":"10.1021/ml500002n","title":"Discovery of BI 224436, a Noncatalytic Site Integrase Inhibitor (NCINI) of HIV-1","year":2014,"lang":"en","type":"article","venue":"ACS Medicinal Chemistry Letters","topic":"HIV/AIDS drug development and treatment","field":"Medicine","cited_by":180,"is_retracted":false,"has_abstract":true,"ca_institutions":"Boehringer Ingelheim (Canada)","funders":"","keywords":"Potency; Integrase; Substituent; Human immunodeficiency virus (HIV); Quinoline; Integrase inhibitor; Pharmacology; Chemistry; Virology; Medicine; Stereochemistry; Computational biology; Biology; Biochemistry; In vitro; Antiretroviral therapy; Viral load","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":[0.0002439443,0.0002620756,0.0005958219,0.00008549532,0.00002817042,0.000006373196,0.0001395027,0.00009175188,0.00006898116],"category_scores_gemma":[0.0002240246,0.0002003839,0.0001472995,0.0002262898,0.0003020084,0.00009096612,0.0000594864,0.0002373965,0.00003004833],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001060131,"about_ca_system_score_gemma":0.0001278475,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002642416,"about_ca_topic_score_gemma":0.000001526873,"domain_scores_codex":[0.9982945,0.00001979884,0.0005307984,0.0003170628,0.0005578179,0.0002799663],"domain_scores_gemma":[0.9989149,0.0001593105,0.0002433717,0.0004417465,0.00008261327,0.0001580773],"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":[0.0002666158,0.0002348405,0.03573726,0.0009210251,0.0002340378,0.0001160268,0.001078596,0.000001143696,0.9478372,0.000008546309,0.01300543,0.0005592905],"study_design_scores_gemma":[0.00332918,0.0000900982,0.002581345,0.001143739,0.0005192338,0.0001162115,0.0005361959,0.00005294146,0.9893665,0.000007892748,0.002047861,0.0002087849],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9896314,0.0001081568,0.000296352,0.008022898,0.00008733315,0.0001658692,0.00002433703,0.00002897617,0.001634637],"genre_scores_gemma":[0.9953222,0.00001900793,0.000444561,0.0006498676,0.0003370174,0.00001378205,0.0002843447,0.00002654539,0.002902695],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04152934,"threshold_uncertainty_score":0.817142,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006403068426088089,"score_gpt":0.2256575334010468,"score_spread":0.2192544649749587,"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."}}