{"id":"W1647538163","doi":"10.1111/j.1747-0285.2010.00995.x","title":"Design, Biologic Evaluation, and SAR of Novel Pseudo‐peptide Incorporating Benzheterocycles as HIV‐1 Protease Inhibitors","year":2010,"lang":"en","type":"article","venue":"Chemical Biology & Drug Design","topic":"HIV/AIDS drug development and treatment","field":"Medicine","cited_by":11,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Manitoba","funders":"National Natural Science Foundation of China","keywords":"Substituent; HIV-1 protease; Chemistry; Stereochemistry; Isostere; Protease; Sulfonamide; Protease inhibitor (pharmacology); Potency; Pyrrolidine; Isopropyl; Docking (animal); Hydrogen bond; Enzyme; Biochemistry; Human immunodeficiency virus (HIV); In vitro; Organic chemistry; Biology; Medicine","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":[0.0001532314,0.0003362521,0.0003972896,0.0001120667,0.0001018482,0.0003496245,0.0003517493,0.0002113775,0.0007979886],"category_scores_gemma":[0.0001391662,0.000132417,0.0001567028,0.0001711387,0.0001812875,0.0002143375,0.0001309174,0.0003828895,0.0002629649],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000283552,"about_ca_system_score_gemma":0.0002393213,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003503564,"about_ca_topic_score_gemma":0.0009400616,"domain_scores_codex":[0.9999176,0.00001786316,0.00000673485,0.00001223531,0.00002378444,0.00002159205],"domain_scores_gemma":[0.9999365,0.000008615054,0.00001739092,0.000004039212,0.0000107911,0.00002264454],"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":[0.000452764,0.000208703,0.0004393037,0.0001382113,0.00001590501,0.000226842,0.00003053027,0.001517772,0.9853019,0.0003100231,0.0001004279,0.01125763],"study_design_scores_gemma":[0.0003463098,0.006355869,0.002892582,0.00001816191,0.00007310263,0.0008017123,0.000027662,0.002523783,0.9788794,0.0001061446,0.007949857,0.00002543861],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9872704,0.008016769,0.002155972,0.00008037296,0.00003501888,0.0001281677,0.0001845484,0.00004000021,0.0020888],"genre_scores_gemma":[0.9862963,0.005671451,0.005682707,0.00007324017,0.00002851158,0.00008459279,0.0004905396,0.00001240352,0.001660414],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007979886,"threshold_uncertainty_score":0.002669513,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03402141036641947,"score_gpt":0.2927702950073434,"score_spread":0.2587488846409239,"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."}}