{"id":"W2126694414","doi":"10.1371/journal.pone.0064547","title":"Promising Aedes aegypti Repellent Chemotypes Identified through Integrated QSAR, Virtual Screening, Synthesis, and Bioassay","year":2013,"lang":"en","type":"article","venue":"PLoS ONE","topic":"Mosquito-borne diseases and control","field":"Medicine","cited_by":52,"is_retracted":false,"has_abstract":true,"ca_institutions":"Ontario Institute for Cancer Research","funders":"Ministero dello Sviluppo Economico; Ontario Ministry of Economic Development and Innovation; U.S. Department of Defense","keywords":"Aedes aegypti; Bioassay; Chikungunya; Dengue fever; Virtual screening; Aedes; Docking (animal); Biology; Dengue virus; Computational biology; Drug discovery; Virology; Bioinformatics; Veterinary medicine; Medicine; Ecology","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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0001684677,0.0002334576,0.0004936775,0.00006904382,0.0001396331,0.0001680626,0.000106806,0.0001143753,0.001597397],"category_scores_gemma":[0.0005633009,0.0001858376,0.0001007424,0.000141684,0.0001513795,0.0002157574,0.00007029734,0.0001843108,0.0001602699],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003430007,"about_ca_system_score_gemma":0.00005742486,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005895038,"about_ca_topic_score_gemma":0.00001234488,"domain_scores_codex":[0.9984018,0.00006474591,0.0003394207,0.0004567472,0.0003966246,0.0003406973],"domain_scores_gemma":[0.9988771,0.0001345035,0.0001205695,0.000427486,0.0002278218,0.000212529],"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":[0.001821498,0.008159926,0.03720533,0.001148578,0.005405566,0.0001446771,0.002359559,0.00000177887,0.7545247,0.001833871,0.01252112,0.1748734],"study_design_scores_gemma":[0.00783923,0.00161907,0.1388826,0.006610573,0.006273148,0.00004867118,0.007031219,0.0122543,0.8142494,0.0008889276,0.002768972,0.001533922],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9914738,0.002531509,0.0004803627,0.002639904,0.00004342364,0.0009880328,0.00001543331,0.0001331331,0.001694409],"genre_scores_gemma":[0.9924932,0.0001907776,0.002325478,0.0005628621,0.0001941785,0.0001672349,0.0000325168,0.00004378482,0.003989937],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1733395,"threshold_uncertainty_score":0.9993153,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03848412897659143,"score_gpt":0.2381775072362886,"score_spread":0.1996933782596972,"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."}}