{"id":"W2943789407","doi":"10.1021/acs.jmedchem.8b01709","title":"Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity","year":2019,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"PARP inhibition in cancer therapy","field":"Medicine","cited_by":49,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"National Cancer Institute; Canadian Institutes of Health Research; St. John's University; Breast Cancer Research Foundation; Susan G. Komen for the Cure","keywords":"Chemistry; Poly ADP ribose polymerase; Stereochemistry; Polymerase; Carboxamide; IC50; Ribose; Enzyme; Biochemistry; In vitro","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0002165839,0.0004593609,0.0005314299,0.0002358572,0.0001547175,0.0003366688,0.0005163638,0.0003368846,0.00142765],"category_scores_gemma":[0.0001561639,0.0002479264,0.0002229937,0.0003266042,0.0001568619,0.0002951163,0.0001951102,0.0005699163,0.0007303429],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003317859,"about_ca_system_score_gemma":0.000348587,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000357082,"about_ca_topic_score_gemma":0.00106229,"domain_scores_codex":[0.9998895,0.00001312816,0.00001197059,0.00002840126,0.00002447114,0.00003261918],"domain_scores_gemma":[0.9999363,0.000006807786,0.00001645188,0.000006204077,0.00001205159,0.00002217938],"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":[0.000473147,0.0004692881,0.0002030357,0.0003550965,0.00002771062,0.0003526352,0.00007623863,0.005321143,0.9581256,0.002035794,0.0006893551,0.03187083],"study_design_scores_gemma":[0.0005428503,0.004972741,0.001385496,0.00004182764,0.00009629549,0.0006663807,0.00002765371,0.004510353,0.9593089,0.000371137,0.02801963,0.0000567937],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9286585,0.01316244,0.03653334,0.0003893047,0.0001676424,0.001219712,0.002033015,0.0004642973,0.01737179],"genre_scores_gemma":[0.9564705,0.009917521,0.0255539,0.0001899641,0.00005181665,0.0003855673,0.001497609,0.00005672641,0.005876382],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00142765,"threshold_uncertainty_score":0.004775941,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01218313424226389,"score_gpt":0.2857752519817942,"score_spread":0.2735921177395303,"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."}}