{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001187494,0.0002727385,0.0002879633,0.0003144176,0.0001102013,0.000199136,0.0002181316,0.0001228506,0.001260282],"category_scores_gemma":[0.0001336172,0.00009932079,0.0001772489,0.0002121255,0.0001098027,0.0001453468,0.000153037,0.0002164491,0.0003346941],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001541641,"about_ca_system_score_gemma":0.0002541348,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004778036,"about_ca_topic_score_gemma":0.001553239,"domain_scores_codex":[0.9999307,0.00001209352,0.000006363171,0.00001166988,0.00002624457,0.00001293584],"domain_scores_gemma":[0.9999485,0.000005246389,0.00001195829,0.00000340039,0.00001777605,0.0000131253],"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":[0.0001568357,0.00008502563,0.0003463314,0.000101903,0.000008535008,0.0001059938,0.00001849329,0.0006047611,0.9888541,0.0001152334,0.0001179285,0.009485106],"study_design_scores_gemma":[0.0001238868,0.00454808,0.0065983,0.00002879263,0.00008203228,0.0008677613,0.0000618031,0.002437127,0.970345,0.0001732475,0.01470694,0.00002699257],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9831845,0.002497778,0.006226385,0.000194891,0.00002489856,0.0003809396,0.001319389,0.0001198775,0.00605145],"genre_scores_gemma":[0.976855,0.003216322,0.01281171,0.0001670796,0.00002071317,0.0001066626,0.002370134,0.00002434733,0.004427946],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001260282,"threshold_uncertainty_score":0.004216075,"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."}}