{"id":"W3070343628","doi":"10.1016/j.bmcl.2020.127502","title":"Antimalarial activity of tetrahydro-β-carbolines targeting the ATP binding pocket of the Plasmodium falciparum heat shock 90 protein","year":2020,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Malaria Research and Control","field":"Medicine","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"Grand Challenges Canada; California Polytechnic State University, San Luis Obispo","keywords":"Potency; Plasmodium falciparum; Chemistry; Lead compound; Pharmacology; In vitro; Shock (circulatory); Structure–activity relationship; Toxicity; Stereochemistry; Biochemistry; Malaria; Immunology; Biology; Medicine","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001589848,0.0002958806,0.0002776162,0.0002598577,0.0001222653,0.000190491,0.0003697512,0.0001964329,0.001221359],"category_scores_gemma":[0.000186922,0.0001474477,0.0001441507,0.000165457,0.0001858212,0.0001258133,0.0001484477,0.000445813,0.000263597],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000218374,"about_ca_system_score_gemma":0.0002690589,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001148259,"about_ca_topic_score_gemma":0.002746745,"domain_scores_codex":[0.9999276,0.00002012484,0.000005584305,0.00001388266,0.00001655699,0.00001621593],"domain_scores_gemma":[0.9999318,0.00001234256,0.00001528059,0.000006397691,0.00001841687,0.00001567882],"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":[0.0005107971,0.0002560967,0.0003091592,0.0001915657,0.00002070519,0.0001923977,0.00005755946,0.002099848,0.974776,0.0005139449,0.0002634762,0.02080856],"study_design_scores_gemma":[0.0003309796,0.006588212,0.001662813,0.00003133076,0.00004738258,0.0006089248,0.00003521289,0.003072342,0.9771934,0.0001238035,0.01028195,0.00002370749],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9810396,0.007355579,0.004427637,0.0001843784,0.00005383872,0.0002234662,0.0003411986,0.000140557,0.006233764],"genre_scores_gemma":[0.9873719,0.004372244,0.005078826,0.00009875431,0.00001735972,0.00005497239,0.0004325967,0.00001692779,0.002556526],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001221359,"threshold_uncertainty_score":0.004085839,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01695752108550034,"score_gpt":0.2426456771751604,"score_spread":0.22568815608966,"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."}}