{"id":"W4283034055","doi":"10.26434/chemrxiv-2022-6v14d","title":"Discovery of Potent Plasmodium falciparum Protein Kinase 6 (PfPK6) Inhibitors with a Type II Inhibitor Pharmacophore","year":2022,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Malaria Research and Control","field":"Medicine","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Division of Chemistry; NIH Office of the Director; Genentech; Ontario Genomics Institute; European Federation of Pharmaceutical Industries and Associations; Merck KGaA; National Institutes of Health; Ontario Genomics; Genome Canada; McGill University; Bayer; Bristol-Myers Squibb; Pfizer; National Science Foundation","keywords":"Pharmacophore; Plasmodium falciparum; Pharmacology; IC50; Drug discovery; Antimalarial Agent; Artemisinin; Drug; Malaria; Kinase; Drug resistance; Chemistry; Plasmodium berghei; In vitro; Biochemistry; Biology; Immunology; Microbiology","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":[0.0001619405,0.0003322487,0.0002566196,0.0001666299,0.0001161,0.0001658899,0.0002428452,0.0001827138,0.0007827451],"category_scores_gemma":[0.00009223923,0.0001142393,0.0002141543,0.0001443435,0.0001576625,0.0002236766,0.0002238294,0.0004501443,0.0003436712],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001845029,"about_ca_system_score_gemma":0.0002236448,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002202094,"about_ca_topic_score_gemma":0.0005743171,"domain_scores_codex":[0.9999299,0.00001102387,0.000004885215,0.00001080425,0.00002384371,0.00001949308],"domain_scores_gemma":[0.9999644,0.000004638782,0.00001046838,0.000003128363,0.000007859921,0.000009501838],"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":[0.0001849399,0.0001634288,0.0004344624,0.0001619524,0.00001740628,0.000218654,0.00004167135,0.001211746,0.9771711,0.00101719,0.0004282516,0.01894921],"study_design_scores_gemma":[0.0001240512,0.003544808,0.002657114,0.00002242576,0.00005251013,0.000871528,0.00002471501,0.002120934,0.9778355,0.0001697415,0.01255805,0.00001872799],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9681348,0.005318443,0.0178431,0.0003777843,0.00005039106,0.0002718745,0.0007435692,0.0002153056,0.007044784],"genre_scores_gemma":[0.9727423,0.006636889,0.0161608,0.0002474489,0.00002572321,0.0001000982,0.0008620397,0.00002147032,0.003203205],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007827451,"threshold_uncertainty_score":0.002618611,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01924135271592972,"score_gpt":0.2796757767549229,"score_spread":0.2604344240389931,"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."}}