{"id":"W2103271027","doi":"10.1111/j.1747-0285.2009.00870.x","title":"Dimethylthiazolidine Carboxylic Acid as a Rigid P3 Unit in Inhibitors of Serine Proteases: Application to Two Targets<sup>†</sup>","year":2009,"lang":"en","type":"article","venue":"Chemical Biology & Drug Design","topic":"HIV/AIDS drug development and treatment","field":"Medicine","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"Boehringer Ingelheim (Canada)","funders":"","keywords":"Proteases; Peptidomimetic; Serine; Serine protease; Protease; Peptide; NS3; Residue (chemistry); Chemistry; Enzyme; Biochemistry; Amino acid; Amino acid residue; Active site; Carboxylic acid; Stereochemistry; Peptide sequence","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":[0.0003498975,0.0003692135,0.0002748,0.0001585629,0.0001788918,0.0002484043,0.0004618226,0.000452177,0.001047596],"category_scores_gemma":[0.0002691487,0.0001655762,0.0002188199,0.0002394518,0.0003807621,0.0002393587,0.000196724,0.0006140876,0.000352404],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003363017,"about_ca_system_score_gemma":0.0003846052,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001397236,"about_ca_topic_score_gemma":0.001354419,"domain_scores_codex":[0.9998684,0.00004109247,0.00001001517,0.00002178134,0.00003213493,0.00002650324],"domain_scores_gemma":[0.9998735,0.00003093416,0.00003265909,0.00001869074,0.00001551318,0.00002874038],"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":[0.0008291735,0.00005812685,0.00009476447,0.0001560124,0.00001410262,0.0002782073,0.00003682435,0.0009045607,0.9849785,0.0007967915,0.0002130849,0.01163984],"study_design_scores_gemma":[0.0002258433,0.002097749,0.0004996861,0.000007307669,0.00003246966,0.0004668497,0.00001250928,0.001482374,0.9887227,0.0001077024,0.006327346,0.00001747972],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.951659,0.0134764,0.0224748,0.0007121518,0.0002567446,0.0003132387,0.0003609347,0.0003940581,0.01035263],"genre_scores_gemma":[0.9702097,0.004851018,0.02121816,0.000216859,0.00004618352,0.0001058768,0.0002056162,0.00004094022,0.003105656],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001397236,"threshold_uncertainty_score":0.003504515,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01239321242653327,"score_gpt":0.285200667038772,"score_spread":0.2728074546122387,"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."}}