{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001080786,0.0003177456,0.000518252,0.0001431853,0.00009267491,0.00001147213,0.0001331981,0.000321938,0.00008964105],"category_scores_gemma":[0.0009151665,0.0002315574,0.0000819686,0.000186344,0.0005231785,0.00006423672,0.00009306616,0.0003443091,0.000040854],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000633317,"about_ca_system_score_gemma":0.0002907942,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000105088,"about_ca_topic_score_gemma":7.335051e-7,"domain_scores_codex":[0.9981958,0.0001709214,0.0005586625,0.0005543602,0.0001925395,0.0003276645],"domain_scores_gemma":[0.9985268,0.0004555282,0.0002681313,0.0002873106,0.000242179,0.0002200607],"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":[0.000232612,0.0003534706,0.0201286,0.00003158796,0.0001199375,0.000007582819,0.0002834116,0.00000332602,0.9730688,0.0001100084,0.0009963465,0.004664351],"study_design_scores_gemma":[0.003018594,0.0001679449,0.0004842112,0.0000898654,0.0002094065,0.00008234409,0.0001047449,0.001483615,0.9914489,0.002421824,0.0002197886,0.0002687303],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.99191,0.0001887169,0.004111406,0.001689596,0.00009551745,0.001704167,0.000009743944,0.00007965435,0.0002112159],"genre_scores_gemma":[0.8611932,0.00001378935,0.1380265,0.000157243,0.00011283,0.000150662,0.0001401935,0.00002138253,0.0001841643],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1339151,"threshold_uncertainty_score":0.9442637,"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."}}