{"id":"W2054485847","doi":"10.1016/j.bmc.2015.02.062","title":"Identification of novel class of falcipain-2 inhibitors as potential antimalarial agents","year":2015,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry","topic":"RNA and protein synthesis mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":38,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Toronto; University Health Network","funders":"Canada Foundation for Innovation; University Health Network; International Center for Genetic Engineering and Biotechnology","keywords":"Chemistry; Stereochemistry; Moiety; Tripeptide; Pyrrolidine; Structure–activity relationship; Papain; Dipeptide; Quinazoline; Small molecule; Biological activity; In silico; Enzyme; Peptide; In vitro; Biochemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005525933,0.0001713509,0.0002433225,0.00002795806,0.00002941494,0.000007539785,0.000308865,0.0002915335,0.00007987045],"category_scores_gemma":[0.0004964419,0.0001646386,0.0001082641,0.0001207202,0.0001535051,0.000005201623,0.0001092961,0.00008365,0.000007527566],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002119673,"about_ca_system_score_gemma":0.0002675414,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002921544,"about_ca_topic_score_gemma":4.518769e-7,"domain_scores_codex":[0.9984773,0.00003440849,0.0005251314,0.0003230589,0.0004441209,0.0001959692],"domain_scores_gemma":[0.9988049,0.000008442419,0.0003879892,0.0004058455,0.0002338305,0.0001590019],"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":[0.0001932028,0.0001563696,0.0001343605,0.00008532509,0.00006138657,0.000003255218,0.00006044411,0.0000048461,0.9979031,0.00002677195,0.0009222605,0.0004486433],"study_design_scores_gemma":[0.001158255,0.0001698594,0.0001534336,0.00004642804,0.00006591633,0.00004201134,0.000370551,0.00004711296,0.996463,0.00004897944,0.001286255,0.0001482211],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9953912,0.0004044122,0.002826931,0.0001488725,0.0003994984,0.0001473631,0.00003310977,0.00001063169,0.0006379038],"genre_scores_gemma":[0.9983515,0.00003826065,0.0002699383,0.00004315789,0.0006456155,0.000006844363,0.00008966379,0.00002476055,0.0005302896],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002960192,"threshold_uncertainty_score":0.6713766,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01941580459535769,"score_gpt":0.2635573542402682,"score_spread":0.2441415496449105,"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."}}