{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002525238,0.0006630294,0.0005759905,0.0002721772,0.000150776,0.0004532784,0.0005532762,0.0003282433,0.00104681],"category_scores_gemma":[0.0001800575,0.0002090544,0.0002641655,0.0003482364,0.0001740038,0.000286599,0.0002227827,0.0005793184,0.0004524483],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004419026,"about_ca_system_score_gemma":0.0003753217,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001024505,"about_ca_topic_score_gemma":0.002703361,"domain_scores_codex":[0.9998202,0.00002847433,0.00001801222,0.00004271614,0.00005239549,0.00003827436],"domain_scores_gemma":[0.9999206,0.00000752071,0.0000266161,0.000004975719,0.0000180107,0.00002230324],"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":[0.0005035668,0.0003897625,0.0003600932,0.0002256214,0.00004019542,0.0002520017,0.0000340925,0.002889432,0.9757301,0.0003449557,0.0004146257,0.01881547],"study_design_scores_gemma":[0.0006493395,0.004082465,0.003091313,0.00002646609,0.000117359,0.0009293578,0.00003081789,0.005797169,0.970691,0.0001087624,0.0144371,0.00003873404],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9506361,0.02324891,0.01632098,0.0003603003,0.00009053548,0.0004783926,0.001264868,0.0003199755,0.007280026],"genre_scores_gemma":[0.97008,0.01177646,0.01226016,0.0001550766,0.000030398,0.0002238918,0.001762687,0.00004330974,0.003667914],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00104681,"threshold_uncertainty_score":0.003501892,"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."}}