{"id":"W4313530451","doi":"10.1016/j.ejmech.2022.115043","title":"Discovery of potent Plasmodium falciparum protein kinase 6 (PfPK6) inhibitors with a type II inhibitor pharmacophore","year":2022,"lang":"en","type":"article","venue":"European Journal of Medicinal Chemistry","topic":"Malaria Research and Control","field":"Medicine","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Division of Chemistry; Genentech; National Institutes of Health; Ontario Genomics; Genome Canada; McGill University; National Institute of Allergy and Infectious Diseases; Bayer; Ontario Genomics Institute; National Sleep Foundation; European Federation of Pharmaceutical Industries and Associations; Merck KGaA; Bristol-Myers Squibb; Pfizer; National Science Foundation","keywords":"Pharmacophore; Plasmodium falciparum; Chemistry; Pharmacology; Artemisinin; IC50; Drug discovery; Drug; EC50; Malaria; Plasmodium berghei; Antimalarial Agent; In vitro; Stereochemistry; Biochemistry; Immunology; Medicine","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":[0.0001137806,0.0002752846,0.0002560382,0.0001463958,0.0001063496,0.0001618821,0.000231453,0.0001649946,0.001122488],"category_scores_gemma":[0.00009465567,0.000105507,0.0001788411,0.0001235695,0.0001466012,0.0001985547,0.0002480423,0.0004314036,0.0003889222],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001591949,"about_ca_system_score_gemma":0.0002126694,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001766555,"about_ca_topic_score_gemma":0.000447999,"domain_scores_codex":[0.9999453,0.000008260522,0.000003413378,0.000007911977,0.00001845505,0.0000166668],"domain_scores_gemma":[0.9999689,0.00000355803,0.000009235546,0.000002907377,0.000006371345,0.000009093949],"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":[0.0003068142,0.0002198226,0.0005342891,0.0002254232,0.00002687627,0.0003694191,0.00004681623,0.002241499,0.9614041,0.00241349,0.0006960642,0.03151526],"study_design_scores_gemma":[0.0002169283,0.004535185,0.00309777,0.00003478029,0.00008084316,0.001191964,0.00002798072,0.003316297,0.9639649,0.0004185114,0.02309159,0.00002311835],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9663054,0.004377069,0.01768368,0.0003944608,0.00006361235,0.0002760658,0.0007395975,0.0001873035,0.009972843],"genre_scores_gemma":[0.9785138,0.005098441,0.01201391,0.0002121894,0.00002556479,0.00006507293,0.0007293024,0.00002060255,0.003321164],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001122488,"threshold_uncertainty_score":0.003755033,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01215719232497647,"score_gpt":0.2457922077523287,"score_spread":0.2336350154273523,"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."}}