{"id":"W4389043310","doi":"10.1021/acsmedchemlett.3c00354","title":"Characterization of 2,4-Dianilinopyrimidines Against Five <i>P. falciparum</i> Kinases PfARK1, PfARK3, PfNEK3, PfPK9, and PfPKB","year":2023,"lang":"en","type":"article","venue":"ACS Medicinal Chemistry Letters","topic":"Malaria Research and Control","field":"Medicine","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Division of Chemistry; Genentech; Ontario Genomics Institute; European Federation of Pharmaceutical Industries and Associations; Structural Genomics Consortium; Merck KGaA; National Institutes of Health; Ontario Genomics; Genome Canada; McGill University; National Institute of Allergy and Infectious Diseases; Bayer; Bristol-Myers Squibb; Division of Graduate Education; Pfizer; National Science Foundation","keywords":"Kinase; Plasmodium falciparum; Potency; Biochemistry; Structure–activity relationship; Protein-Serine-Threonine Kinases; Computational biology; Biology; In vitro; Pharmacology; Chemistry; Malaria; Protein kinase A; Immunology","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003562832,0.0002631806,0.0005140756,0.0001266775,0.00009067373,0.00002220581,0.0001780535,0.0001399522,0.0001115827],"category_scores_gemma":[0.0004693577,0.000230717,0.00009617863,0.0004662608,0.0003108376,0.000109085,0.00009542984,0.000339049,0.00002160856],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000508903,"about_ca_system_score_gemma":0.0001242626,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004412125,"about_ca_topic_score_gemma":0.000001498818,"domain_scores_codex":[0.9979098,0.00004277457,0.0004282055,0.0004245907,0.0006733618,0.0005213104],"domain_scores_gemma":[0.9987583,0.0001689425,0.000165946,0.0003798017,0.0001611459,0.0003659001],"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":[0.0004105349,0.00005514256,0.001957194,0.0008289317,0.000106919,0.0003278385,0.0002246919,0.00000281399,0.9899827,0.00001143446,0.003364815,0.002726935],"study_design_scores_gemma":[0.003840186,0.0001718664,0.03046798,0.0005840943,0.0002063117,0.0001216036,0.0006049218,0.0005799875,0.9604212,0.0000210129,0.00265652,0.000324295],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9728487,0.0001705853,0.00003627959,0.02548693,0.00009404292,0.0003483856,0.00005125433,0.0001191426,0.0008446802],"genre_scores_gemma":[0.9943085,0.0005911676,0.00002686666,0.002971468,0.0006102339,0.00005325859,0.0006160725,0.00003534476,0.0007871002],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02956153,"threshold_uncertainty_score":0.9408368,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01297685886522096,"score_gpt":0.2547017921467832,"score_spread":0.2417249332815623,"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."}}