{"id":"W3126966743","doi":"10.1021/acs.jmedchem.1c00034","title":"Identification and Profiling of a Novel Diazaspiro[3.4]octane Chemical Series Active against Multiple Stages of the Human Malaria Parasite <i>Plasmodium falciparum</i> and Optimization Efforts","year":2021,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Malaria Research and Control","field":"Medicine","cited_by":23,"is_retracted":false,"has_abstract":true,"ca_institutions":"Canada Malting (Canada)","funders":"Medicines for Malaria Venture","keywords":"Chemistry; Plasmodium falciparum; Malaria; Profiling (computer programming); Octane; Identification (biology); Computational biology; Parasite hosting; Combinatorial chemistry; Organic chemistry; Immunology; Biology; Computer science; Ecology","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004068743,0.0001139098,0.0003946084,0.00003363843,0.00005261918,0.00001374788,0.00008812222,0.0001089169,0.00001951085],"category_scores_gemma":[0.001011482,0.00007989821,0.00008046526,0.0001239081,0.000241364,0.0001102728,0.00005940497,0.0003651389,2.573115e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003768756,"about_ca_system_score_gemma":0.0002251145,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000005483816,"about_ca_topic_score_gemma":0.000001216759,"domain_scores_codex":[0.9985982,0.00003018437,0.0005440416,0.0001444873,0.0005389091,0.0001441866],"domain_scores_gemma":[0.9984483,0.0001038166,0.0005536823,0.000169055,0.0005731121,0.0001520451],"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":[0.0006766832,0.0001778101,0.01357509,0.0007211188,0.0001388781,0.00004055708,0.0001663348,0.0001048136,0.9839664,0.0000293657,0.00001892121,0.0003840662],"study_design_scores_gemma":[0.003632804,0.0001044269,0.01524494,0.0005716497,0.000202678,0.000614105,0.0006870027,0.001495212,0.9773545,0.0000156779,0.00001578262,0.0000612327],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9961005,0.0005947795,0.0008255618,0.00210684,0.00003921671,0.000159782,0.00002279675,0.000003130052,0.0001474274],"genre_scores_gemma":[0.9981353,0.0001886558,0.001317416,0.00003926365,0.0001355971,0.000004423756,0.00001886955,0.00001000495,0.0001505135],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006611875,"threshold_uncertainty_score":0.3258155,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0136328730152324,"score_gpt":0.2770414296317396,"score_spread":0.2634085566165071,"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."}}