{"id":"W1995753428","doi":"10.1021/jm100690x","title":"Discovery of a Potent and Selective Noncovalent Linear Inhibitor of the Hepatitis C Virus NS3 Protease (BI 201335)","year":2010,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Hepatitis C virus research","field":"Medicine","cited_by":89,"is_retracted":false,"has_abstract":true,"ca_institutions":"Boehringer Ingelheim (Canada)","funders":"","keywords":"Chemistry; Tripeptide; Potency; NS3; Stereochemistry; Moiety; Protease; Protease inhibitor (pharmacology); Structure–activity relationship; Biochemistry; Enzyme; Peptide; In vitro; Virology; Virus","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":[0.0001275825,0.000376232,0.0002479765,0.000215936,0.0001100882,0.0002064748,0.0003725656,0.0002670063,0.001374076],"category_scores_gemma":[0.00009025275,0.0001271399,0.0001919149,0.0001634225,0.0001624324,0.0001827835,0.0002295393,0.0005132498,0.0006635525],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002315857,"about_ca_system_score_gemma":0.0002709869,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006521953,"about_ca_topic_score_gemma":0.001532762,"domain_scores_codex":[0.9999356,0.000006125107,0.000003150981,0.0000116929,0.00002604088,0.00001747328],"domain_scores_gemma":[0.9999623,0.000002980431,0.000007700202,0.000002251509,0.000005182037,0.00001955192],"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":[0.0003114197,0.0002380026,0.0002019873,0.0001615585,0.00002114933,0.0002696079,0.00002590454,0.0004486124,0.9652247,0.0005066437,0.0005753846,0.03201509],"study_design_scores_gemma":[0.0003751573,0.006556785,0.004045363,0.00002227957,0.00007994136,0.001803455,0.00001767128,0.002137201,0.9575672,0.0002171043,0.02714181,0.00003603329],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9290151,0.02768272,0.03026995,0.0004425299,0.0001922419,0.0006724366,0.001239071,0.0004346578,0.01005119],"genre_scores_gemma":[0.9616206,0.008498141,0.01900562,0.0002830841,0.00003761435,0.0001312581,0.001865275,0.00002370945,0.008534749],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001374076,"threshold_uncertainty_score":0.00459671,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01143691093092668,"score_gpt":0.2882116312637687,"score_spread":0.276774720332842,"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."}}