{"id":"W4311654282","doi":"10.1021/acsmedchemlett.2c00376","title":"Structural and Functional Characterization of Indane-Core CD4-Mimetic Compounds Substituted with Heterocyclic Amines","year":2022,"lang":"en","type":"article","venue":"ACS Medicinal Chemistry Letters","topic":"HIV Research and Treatment","field":"Immunology and Microbiology","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal; Centre Hospitalier de l’Université de Montréal","funders":"National Institute of Allergy and Infectious Diseases","keywords":"Pyrrolidine; Moiety; Stereochemistry; Chemistry; Piperazine; Piperidine; Trimer; Hydrogen bond; Molecule","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":[0.0001025465,0.0001739922,0.0001388045,0.00009174317,0.00008224125,0.00008147402,0.0002583769,0.0001281633,0.00136741],"category_scores_gemma":[0.0001094104,0.00005723097,0.0001125469,0.00007723649,0.00009198451,0.00011016,0.00006657175,0.0001903164,0.0002242264],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001547619,"about_ca_system_score_gemma":0.00009203135,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004016451,"about_ca_topic_score_gemma":0.0004169962,"domain_scores_codex":[0.9999577,0.000007479046,0.000002281187,0.000007667243,0.00001363178,0.00001130623],"domain_scores_gemma":[0.999962,0.000006838955,0.00001086798,0.00000288584,0.000007531522,0.000009889193],"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":[0.000492377,0.0001532784,0.0003569428,0.0001178196,0.00001015338,0.00008865322,0.00001657103,0.001924708,0.9904557,0.0002743609,0.0001146204,0.005994814],"study_design_scores_gemma":[0.00007754304,0.003347614,0.003268605,0.000008552628,0.00002414694,0.0002461124,0.00002163931,0.005531959,0.9836016,0.00005816041,0.003802325,0.00001177647],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9967039,0.0009271695,0.0005101048,0.0000223145,0.000007188582,0.00002566053,0.0001711755,0.00001409625,0.001618249],"genre_scores_gemma":[0.9960248,0.0006529887,0.001570383,0.0000276771,0.000005479583,0.00001918785,0.0003879142,0.000005981735,0.001305474],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00136741,"threshold_uncertainty_score":0.004574478,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01454703948081559,"score_gpt":0.2197935552715997,"score_spread":0.2052465157907841,"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."}}