{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002882009,0.0003018009,0.0002818585,0.0001420253,0.0001396694,0.000184921,0.0002381985,0.0002097773,0.001556358],"category_scores_gemma":[0.0002460826,0.0001164209,0.0001571636,0.0001529984,0.0001565429,0.0001796766,0.0000934781,0.0003262771,0.0002583215],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002426087,"about_ca_system_score_gemma":0.0002625636,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000998088,"about_ca_topic_score_gemma":0.001621738,"domain_scores_codex":[0.9998759,0.00002751715,0.00001073429,0.00002452335,0.00003463096,0.00002666247],"domain_scores_gemma":[0.999922,0.00001993277,0.00001978268,0.00000591509,0.00001408873,0.0000182651],"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":[0.0003942057,0.0001405711,0.0003280104,0.0001672992,0.0000124052,0.000116819,0.0000437996,0.001757827,0.9897653,0.0001770216,0.0001888876,0.006907891],"study_design_scores_gemma":[0.0002172748,0.005945215,0.004446018,0.00001758412,0.00004017065,0.000454959,0.00003351068,0.002642202,0.9814458,0.00006127782,0.004678018,0.00001805299],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9883451,0.003479774,0.002480656,0.0001093919,0.00002241618,0.0002011727,0.0008209734,0.00005032638,0.004490059],"genre_scores_gemma":[0.9917393,0.001932275,0.00318201,0.00005588783,0.000009036223,0.00005279176,0.0008587199,0.00001082198,0.002159268],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001556358,"threshold_uncertainty_score":0.005206585,"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."}}