{"id":"W4377019502","doi":"10.1101/2023.05.15.540828","title":"Optimization of 3-Cyano-7-cyclopropylamino-pyrazolo[1,5-a]pyrimidines Toward the Development of an In Vivo Chemical Probe for CSNK2A","year":2023,"lang":"en","type":"preprint","venue":"bioRxiv (Cold Spring Harbor Laboratory)","topic":"Pharmacogenetics and Drug Metabolism","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Lineberger Comprehensive Cancer Center, University of North Carolina at Chapel Hill; Gillings School of Public Health; Genentech; Pharmaron; UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill; Ontario Genomics Institute; European Federation of Pharmaceutical Industries and Associations; Merck KGaA; National Institutes of Health; Ontario Genomics; Genome Canada; Pfizer; Bristol-Myers Squibb; North Carolina Biotechnology Center; Bayer; McGill University; University of North Carolina at Chapel Hill; U.S. Department of Defense","keywords":"In vivo; Chemistry; Pharmacokinetics; Dosing; Pharmacology; Enzyme; Covalent bond; Combinatorial chemistry; Biochemistry; Medicine; Biology; Organic chemistry","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":[0.0003795698,0.0004303456,0.0002247511,0.0001970059,0.0001239783,0.0002315773,0.0002508826,0.0002730174,0.003549858],"category_scores_gemma":[0.0002025112,0.0001288098,0.0002041887,0.0002106497,0.0001396125,0.0002056742,0.0001436045,0.0005145415,0.0009431487],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003341307,"about_ca_system_score_gemma":0.0003016712,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000488653,"about_ca_topic_score_gemma":0.001654372,"domain_scores_codex":[0.9998537,0.00002529603,0.000007840477,0.00003512642,0.00004601965,0.00003190014],"domain_scores_gemma":[0.9999219,0.00001205002,0.00002553018,0.000009816737,0.00001569843,0.00001500164],"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":[0.000172919,0.00005654732,0.00008847888,0.0001488487,0.000008803108,0.00004969989,0.00001646511,0.0009995998,0.9925303,0.0003792809,0.000434072,0.005115053],"study_design_scores_gemma":[0.00003372084,0.0004915266,0.0003782995,0.000006777592,0.000009181108,0.00005253212,0.000006117756,0.001044633,0.9929613,0.00005259273,0.004955112,0.000008009019],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9347671,0.005589608,0.03942161,0.0006980094,0.0001601659,0.0005419975,0.004145436,0.0005994898,0.01407664],"genre_scores_gemma":[0.9660622,0.003033279,0.02116278,0.0001537644,0.00002018269,0.0001964106,0.001755978,0.00007504422,0.007540399],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003549858,"threshold_uncertainty_score":0.01187539,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.09888589641764382,"score_gpt":0.3588833410918257,"score_spread":0.2599974446741819,"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."}}