{"id":"W1965782508","doi":"10.1021/jm901775y","title":"Optimization of Phenyl-Substituted Benzimidazole Carboxamide Poly(ADP-Ribose) Polymerase Inhibitors: Identification of (<i>S</i>)-2-(2-Fluoro-4-(pyrrolidin-2-yl)phenyl)-1<i>H</i>-benzimidazole-4-carboxamide (A-966492), a Highly Potent and Efficacious Inhibitor","year":2010,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"PARP inhibition in cancer therapy","field":"Medicine","cited_by":71,"is_retracted":false,"has_abstract":true,"ca_institutions":"Institute of Cancer Research","funders":"","keywords":"Benzimidazole; Carboxamide; Chemistry; Poly ADP ribose polymerase; Potency; Stereochemistry; Polymerase; In vivo; Pharmacology; Enzyme; In vitro; Biochemistry; Biology","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.001390535,0.0006126819,0.001456899,0.0004472359,0.0001413634,0.00004291254,0.0004246272,0.0005755019,0.0001755758],"category_scores_gemma":[0.0007257023,0.0005605497,0.0004283039,0.0007192905,0.000824442,0.0003980335,0.00009618783,0.001470835,0.000002205254],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002700591,"about_ca_system_score_gemma":0.0008973612,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00009890263,"about_ca_topic_score_gemma":0.000005929181,"domain_scores_codex":[0.9937631,0.000109765,0.00307811,0.0005779075,0.001908334,0.0005627802],"domain_scores_gemma":[0.9934645,0.0002712781,0.003227978,0.0007936798,0.001462046,0.0007804787],"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":[0.001929425,0.0006979534,0.002382088,0.0008789445,0.0003376192,0.0001347152,0.0006996236,0.0007925744,0.9889883,0.00002573564,0.0006746756,0.002458347],"study_design_scores_gemma":[0.009041116,0.0003916985,0.002495089,0.001579232,0.0008314477,0.001558336,0.0005981484,0.00117448,0.9813214,0.00007760515,0.0005109872,0.0004204857],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.988298,0.005111608,0.001725955,0.002309258,0.0014356,0.0004849221,0.00009601562,0.00006292141,0.0004757456],"genre_scores_gemma":[0.9933472,0.0007753797,0.002226226,0.000255941,0.003124283,0.00002150857,0.00007808334,0.00009626772,0.00007514971],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007666924,"threshold_uncertainty_score":0.9996846,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006279881264175296,"score_gpt":0.2457195546142217,"score_spread":0.2394396733500464,"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."}}