{"id":"W2052146571","doi":"10.1016/j.bmcl.2013.03.074","title":"Optimization of a 1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione series of HIV capsid assembly inhibitors 2: Structure–activity relationships (SAR) of the C3-phenyl moiety","year":2013,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"HIV/AIDS drug development and treatment","field":"Medicine","cited_by":21,"is_retracted":false,"has_abstract":false,"ca_institutions":"Boehringer Ingelheim (Canada)","funders":"","keywords":"Chemistry; Moiety; Diazepine; Stereochemistry; Capsid; Structure–activity relationship; Human immunodeficiency virus (HIV); Series (stratigraphy); Enzyme inhibitor; Enzyme; In vitro; Ring (chemistry); Biochemistry; Organic chemistry; Virology","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":[0.0001711495,0.0004120278,0.0003507911,0.0002806072,0.00014485,0.0002995507,0.0003514409,0.0001835648,0.001677033],"category_scores_gemma":[0.0001177719,0.0001407825,0.0001626474,0.0002236553,0.0001248993,0.0001402555,0.0001465057,0.0003532023,0.0003802383],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000397168,"about_ca_system_score_gemma":0.0005010806,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00140423,"about_ca_topic_score_gemma":0.008343662,"domain_scores_codex":[0.9999229,0.00001491573,0.000005827457,0.00001429972,0.00002186857,0.00002028957],"domain_scores_gemma":[0.9999548,0.000006031274,0.00001021747,0.00000293585,0.00001009211,0.00001587145],"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":[0.0006996116,0.0006180698,0.0005303238,0.0002127046,0.00002846434,0.0002414451,0.00005162515,0.003147217,0.9736016,0.0004239372,0.0004720206,0.01997304],"study_design_scores_gemma":[0.0008565389,0.006916262,0.007946108,0.00005315965,0.0001443123,0.0007146162,0.00005311217,0.00613203,0.9513118,0.0001372877,0.02569064,0.00004411636],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9807236,0.007237089,0.003471859,0.000191463,0.00005592157,0.0002720456,0.0009422547,0.0001138398,0.006991997],"genre_scores_gemma":[0.9849229,0.00427805,0.004555503,0.0001531899,0.00001429094,0.00006943146,0.001229854,0.00001907503,0.004757593],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001677033,"threshold_uncertainty_score":0.005610228,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00965030125485551,"score_gpt":0.200889033909445,"score_spread":0.1912387326545895,"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."}}