{"id":"W4364356934","doi":"10.1021/acscentsci.2c01317","title":"Rational Chemical Design of Molecular Glue Degraders","year":2023,"lang":"en","type":"article","venue":"ACS Central Science","topic":"Protein Degradation and Inhibitors","field":"Biochemistry, Genetics and Molecular Biology","cited_by":183,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Division of Chemistry; Natural Sciences and Engineering Research Council of Canada; Mark Foundation For Cancer Research; Innovative Genomics Institute; Novartis Institutes for BioMedical Research; National Cancer Institute; National Institutes of Health; National Science Foundation","keywords":"Computational biology; Chemistry; Ubiquitin; Ubiquitin ligase; Covalent bond; Target protein; Proteasome; Protein degradation; Biochemistry; Combinatorial chemistry; Biology; Gene","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002168245,0.00006092287,0.00005039621,0.00004155407,0.00005366535,0.00001552273,0.0002524468,0.00004397058,0.00001087435],"category_scores_gemma":[0.0002247958,0.00005605029,0.00002927166,0.0004360842,0.0003102739,0.000008250173,0.00007600141,0.00003355045,0.00001177151],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000129381,"about_ca_system_score_gemma":0.0001879313,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000003886821,"about_ca_topic_score_gemma":2.589636e-7,"domain_scores_codex":[0.9991422,0.00001947264,0.0001109666,0.0002156939,0.000256301,0.0002553813],"domain_scores_gemma":[0.9996607,0.000006446738,0.00003791214,0.0001470506,0.00006104597,0.00008681119],"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":[0.000008092949,0.00001126278,0.0002806074,0.000001949186,0.00000271572,9.810075e-7,0.00001683122,0.0003780103,0.9965951,0.0007147489,0.001288786,0.0007009495],"study_design_scores_gemma":[0.0001218463,0.00003581365,0.001367154,0.000003520794,0.000001784236,0.00000233641,0.00002143137,0.0005579893,0.9968168,0.0001532583,0.0008481537,0.00006995036],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.988974,0.00005460078,0.01012854,0.0003290401,0.0001176818,0.0001297606,0.000004070036,0.00001578944,0.0002465607],"genre_scores_gemma":[0.9979368,0.00002582587,0.001731808,0.0001383826,0.00003981055,0.000006534147,0.0000298139,0.000004365236,0.00008658511],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008962918,"threshold_uncertainty_score":0.2285665,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01631584461292817,"score_gpt":0.2541396342241705,"score_spread":0.2378237896112423,"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."}}