{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003105556,0.0001994757,0.000343932,0.0001076847,0.0002375302,0.000005705766,0.0001732353,0.0001116701,0.0007202112],"category_scores_gemma":[0.00008154723,0.0002070568,0.00008816463,0.0003832189,0.0003473976,0.00009033847,0.0002721554,0.0003976411,0.000002135245],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007875387,"about_ca_system_score_gemma":0.00008940845,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002041881,"about_ca_topic_score_gemma":0.000001386892,"domain_scores_codex":[0.9986924,0.0001805312,0.0003612126,0.000306204,0.0002063597,0.0002533064],"domain_scores_gemma":[0.9991212,0.0001537225,0.0003248165,0.0001307005,0.0001453763,0.000124212],"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":[0.001020418,0.001183109,0.008186236,0.0001543887,0.0003357213,0.00002692184,0.002219472,0.00445006,0.9750715,0.0006669746,0.003670091,0.003015041],"study_design_scores_gemma":[0.0015299,0.0003551811,0.0008037459,0.00001311007,0.00008881159,0.00003647359,0.0008176476,0.002595805,0.9902977,0.0001867058,0.003080747,0.0001942056],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9952749,0.0006650487,0.0002409938,0.0004247584,0.0003284381,0.0002993981,0.0001105967,0.00003221371,0.002623643],"genre_scores_gemma":[0.9984546,0.0002295059,0.0005149319,0.0003910987,0.00006850498,0.00004880252,0.00005923312,0.00002394376,0.0002093511],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0152261,"threshold_uncertainty_score":0.844353,"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."}}