{"id":"W6957917416","doi":"10.60692/c33wa-t0k56","title":"QSAR Models and Virtual Screening for Discovery of New Analgesic Leads","year":2017,"lang":"en","type":"article","venue":"Greater South Information System","topic":"Neuropeptides and Animal Physiology","field":"Neuroscience","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Carleton University","funders":"","keywords":"Analgesic; Nociception; Virtual screening; Xenopus; Opioid; Benzene derivatives; In vitro; Acute pain","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":[0.001143267,0.001412305,0.002104433,0.001954617,0.0003016654,0.001112732,0.0008927122,0.0006738199,0.003984987],"category_scores_gemma":[0.001374626,0.0004404066,0.002102994,0.001664242,0.0003239691,0.0007362114,0.0006272057,0.001113755,0.000672226],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005069299,"about_ca_system_score_gemma":0.0008146309,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00226563,"about_ca_topic_score_gemma":0.002527488,"domain_scores_codex":[0.9994494,0.0003006111,0.00003126324,0.00005463228,0.0001153868,0.00004878644],"domain_scores_gemma":[0.9995301,0.0003401431,0.00004709995,0.00002271271,0.00004424783,0.00001583273],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0002225842,0.0001795093,0.001105206,0.0009131479,0.0003538804,0.0001571704,0.00003499102,0.9522002,0.006665101,0.007783728,0.001450786,0.02893374],"study_design_scores_gemma":[0.00006620181,0.0003046878,0.000334241,0.00004645759,0.0001555889,0.0000424927,0.00002972503,0.9896589,0.002456466,0.003947071,0.002938868,0.00001940867],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2565404,0.0273891,0.6774461,0.001799812,0.000200518,0.0009549384,0.0100005,0.004346555,0.02132213],"genre_scores_gemma":[0.8296112,0.01302969,0.1464991,0.0004142491,0.0001113548,0.001230313,0.006392944,0.0001521183,0.00255911],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.003984987,"threshold_uncertainty_score":0.01333112,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1256134842194233,"score_gpt":0.2674162938707597,"score_spread":0.1418028096513363,"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."}}