{"id":"W4404580222","doi":"10.1021/acs.jmedchem.4c02019","title":"Covalent Inhibitors of KEAP1 with Exquisite Selectivity","year":2024,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Genomics, phytochemicals, and oxidative stress","field":"Biochemistry, Genetics and Molecular Biology","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"European Federation of Pharmaceutical Industries and Associations; Horizon 2020 Framework Programme; Innovative Medicines Initiative; Kungliga Tekniska Högskolan; McGill University","keywords":"Chemistry; Selectivity; KEAP1; In vivo; Covalent bond; Structure–activity relationship; Biochemistry; In vitro; Pharmacology; Stereochemistry; Gene; Organic chemistry; Transcription factor; Genetics; Biology","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002465686,0.0005207317,0.0002822519,0.0001837008,0.0001658475,0.0003024006,0.0003273742,0.0002840057,0.002160733],"category_scores_gemma":[0.0001810716,0.0001778796,0.0002326116,0.0002253147,0.000191869,0.0002545143,0.0003683566,0.0006355331,0.000702056],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003143118,"about_ca_system_score_gemma":0.0002190012,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002750226,"about_ca_topic_score_gemma":0.000828683,"domain_scores_codex":[0.9998375,0.00002395169,0.00001185687,0.00004165752,0.00004173343,0.00004331577],"domain_scores_gemma":[0.9999406,0.00001196759,0.0000149769,0.000009852675,0.00001215731,0.00001037191],"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":[0.0002087886,0.00007697667,0.0001354598,0.0002190589,0.00002492481,0.00009125972,0.00002512403,0.0007737873,0.9891198,0.0008612724,0.0004286394,0.008034963],"study_design_scores_gemma":[0.00007304714,0.0006731304,0.0006007528,0.00001242063,0.00002822453,0.0002943662,0.00001450041,0.0008659606,0.9841096,0.000149943,0.01316416,0.00001389145],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9142689,0.01446538,0.04651704,0.000684548,0.000210604,0.0005542999,0.001942961,0.0006914256,0.02066481],"genre_scores_gemma":[0.9709501,0.005631931,0.0122921,0.0003381459,0.0000299207,0.0002521297,0.0008242998,0.00004313144,0.009638227],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002160733,"threshold_uncertainty_score":0.007228374,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004142567997483466,"score_gpt":0.231784954868875,"score_spread":0.2276423868713915,"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."}}