{"id":"W4386163400","doi":"10.1016/j.bmcl.2023.129456","title":"Design, synthesis, and structure-activity relationship of a bicyclic HBV capsid assembly modulator chemotype leading to the identification of clinical candidate AB-506","year":2023,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Hepatitis B Virus Studies","field":"Medicine","cited_by":9,"is_retracted":false,"has_abstract":false,"ca_institutions":"Arbutus Biopharma (Canada)","funders":"","keywords":"Capsid; Chemistry; ADME; Potency; Chemotype; Hepatitis B virus; Viral replication; Virology; Structure–activity relationship; Stereochemistry; Small molecule; Computational biology; Virus; Biochemistry; In vitro; Biology; Gene","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":[0.0001353701,0.0002364778,0.0001776236,0.0002224571,0.000152764,0.0002185275,0.0003103515,0.0001862705,0.001891086],"category_scores_gemma":[0.0001410005,0.0001217304,0.0001332359,0.0001760638,0.0001136544,0.0001185512,0.0001941143,0.0003404514,0.000493055],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002303784,"about_ca_system_score_gemma":0.0003075213,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007007883,"about_ca_topic_score_gemma":0.001668072,"domain_scores_codex":[0.9999428,0.00001043224,0.00000520175,0.000009978939,0.000009891769,0.00002169698],"domain_scores_gemma":[0.9999452,0.000006690626,0.00001122584,0.00000539408,0.00001005859,0.00002147368],"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":[0.0006623646,0.0002284549,0.0002741186,0.0001151089,0.000009309548,0.0003414613,0.00005367119,0.001182805,0.977229,0.0005514647,0.0003201388,0.0190321],"study_design_scores_gemma":[0.0004557825,0.01009281,0.002921839,0.00003433073,0.000054647,0.0008669059,0.00004901834,0.003150915,0.9686816,0.0001991531,0.01345907,0.00003400022],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9810951,0.002732883,0.007772529,0.0002755072,0.00008322792,0.0004758842,0.0006497477,0.0001012927,0.006813871],"genre_scores_gemma":[0.9833016,0.001686305,0.008882876,0.0001961664,0.00001727015,0.00008850123,0.0005659308,0.00001357896,0.005247844],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001891086,"threshold_uncertainty_score":0.006326258,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.06049670974653201,"score_gpt":0.337917958289661,"score_spread":0.277421248543129,"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."}}