{"id":"W2985852902","doi":"10.1021/acs.jmedchem.9b01227","title":"Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors","year":2019,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Melanoma and MAPK Pathways","field":"Biochemistry, Genetics and Molecular Biology","cited_by":27,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Eshelman Institute for Innovation, University of North Carolina at Chapel Hill; Merck Sharp and Dohme; Ontario Ministry of Research, Innovation and Science; Fundação de Amparo à Pesquisa do Estado de São Paulo; Deutsche Forschungsgemeinschaft; Deutschen Konsortium für Translationale Krebsforschung; Novartis; Ontario Genomics Institute; Canada Foundation for Innovation; Wellcome Trust; AbbVie; Takeda Pharmaceutical Company; Janssen Pharmaceuticals; Merck KGaA; Innovative Medicines Initiative; Wellcome; Bayer; Pfizer; Boehringer Ingelheim","keywords":"Chemistry; p38 mitogen-activated protein kinases; Kinase; Mitogen-activated protein kinase; Drug discovery; Potency; Small molecule; Gene isoform; Selectivity; Protein kinase A; Biochemistry; Combinatorial chemistry; Computational biology; In vitro; Pharmacology; Biology; Gene","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":[0.0004074453,0.0007910535,0.0007526395,0.0006596872,0.0003447355,0.0005414723,0.0008121119,0.0004261571,0.001723752],"category_scores_gemma":[0.0004187783,0.0003536014,0.0005114804,0.0006980152,0.0003680703,0.0004635201,0.0009763542,0.0009319636,0.001046722],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003724303,"about_ca_system_score_gemma":0.0008821527,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004143534,"about_ca_topic_score_gemma":0.001135574,"domain_scores_codex":[0.9996296,0.00005061051,0.0000288235,0.00007519709,0.0001172382,0.00009847719],"domain_scores_gemma":[0.9998699,0.00001807252,0.00003048349,0.00001936178,0.00003298243,0.00002907984],"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":[0.0004961686,0.0008110168,0.0006091813,0.0008469268,0.0001010142,0.001211635,0.0002300407,0.02016952,0.9068743,0.00748466,0.002023838,0.05914172],"study_design_scores_gemma":[0.0006548259,0.004857439,0.0009790643,0.00006705848,0.000144843,0.001269227,0.0001410617,0.03703167,0.916775,0.003583455,0.03437977,0.0001164889],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6526129,0.006337901,0.3044853,0.0006728401,0.0002331079,0.003260931,0.002276193,0.001313828,0.02880706],"genre_scores_gemma":[0.8250611,0.006315883,0.1600231,0.0003056502,0.00005517717,0.001358382,0.001227847,0.0001543358,0.005498581],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001723752,"threshold_uncertainty_score":0.005766571,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009223267021268149,"score_gpt":0.230152640214313,"score_spread":0.2209293731930448,"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."}}