{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004938431,0.0006037206,0.0002714068,0.0002945991,0.0001777651,0.0003250492,0.0004136013,0.000493832,0.0009017783],"category_scores_gemma":[0.000310593,0.0002409195,0.0003483041,0.0001996071,0.0002246163,0.0004027247,0.0003540315,0.0005883163,0.0006222273],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004666961,"about_ca_system_score_gemma":0.0004024438,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003519142,"about_ca_topic_score_gemma":0.0008577895,"domain_scores_codex":[0.999706,0.00004669049,0.00003195477,0.00005048937,0.0001020755,0.00006279766],"domain_scores_gemma":[0.999874,0.00001285617,0.00004485773,0.00001527454,0.00002794512,0.00002514127],"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":[0.0002115038,0.0002327006,0.000270443,0.0005454461,0.00005194178,0.0004004715,0.0000915207,0.009393355,0.959417,0.008978824,0.0008111561,0.01959572],"study_design_scores_gemma":[0.0001154031,0.00140295,0.0002864193,0.00003016397,0.00002299097,0.000191665,0.00003150785,0.004977964,0.9642995,0.0007181166,0.02789389,0.00002937774],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"methods","genre_scores_codex":[0.7966748,0.007591396,0.1667024,0.0009209663,0.0003472572,0.001303838,0.001113011,0.0008315946,0.0245149],"genre_scores_gemma":[0.9183694,0.007628901,0.066312,0.000285096,0.00003852828,0.0004049111,0.0006403096,0.00008591261,0.00623494],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.0009017783,"threshold_uncertainty_score":0.00338608,"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."}}