{"id":"W4296900401","doi":"10.1002/cmdc.202200310","title":"Optimization of <i>N</i> ‐Piperidinyl‐Benzimidazolone Derivatives as Potent and Selective Inhibitors of 8‐Oxo‐Guanine DNA Glycosylase 1","year":2022,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Bioactive Compounds and Antitumor Agents","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"HORIZON EUROPE European Research Council; Innovative Medicines Initiative; Dr Åke Olssons Stiftelse för Haematologisk Forskning; Vetenskapsrådet; Crafoordska Stiftelsen; Uppsala Universitet; Cancerfonden; European Federation of Pharmaceutical Industries and Associations; Alfred Österlunds Stiftelse; European Commission; Pain Relief Foundation; Diamond Light Source; McGill University; Karolinska Institutet; Torsten Söderbergs Stiftelse","keywords":"Guanine; DNA glycosylase; Chemistry; DNA; Linker; DNA repair; Base excision repair; Small molecule; DNA damage; Deoxyguanosine; Enzyme; Biochemistry; Stereochemistry; Gene; Nucleotide","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":[0.0001935244,0.0004544779,0.0002915357,0.0001917932,0.0001172941,0.0002152195,0.0003846732,0.0001684992,0.00216008],"category_scores_gemma":[0.0001397713,0.0001320339,0.0001529914,0.000207603,0.0001577094,0.0001801693,0.0001868622,0.0004194639,0.0004688829],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002682413,"about_ca_system_score_gemma":0.0002769376,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007810426,"about_ca_topic_score_gemma":0.002800681,"domain_scores_codex":[0.9999096,0.00001749196,0.000008466554,0.00001565876,0.00001845863,0.00003023875],"domain_scores_gemma":[0.9999542,0.000007520382,0.00001216052,0.000003999613,0.000009671162,0.00001238264],"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":[0.0009320831,0.0005180699,0.0004098481,0.000374182,0.00002433845,0.0003646558,0.000100485,0.005043147,0.9720054,0.001025555,0.0008079156,0.01839433],"study_design_scores_gemma":[0.0006066478,0.01065206,0.003239242,0.00006204636,0.000079873,0.0005313747,0.00009183389,0.005430499,0.964357,0.0002530124,0.01465298,0.00004341601],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9816812,0.003333993,0.004411304,0.0002252937,0.00005778131,0.0002590214,0.0006894642,0.0001910372,0.00915098],"genre_scores_gemma":[0.9896821,0.002655641,0.003561788,0.0001031619,0.0000111652,0.00008590359,0.0005034381,0.00002152624,0.003375295],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00216008,"threshold_uncertainty_score":0.007226169,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.06091668026078671,"score_gpt":0.3620003800153055,"score_spread":0.3010836997545188,"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."}}