{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008001279,0.00009773038,0.0001830558,0.00006546194,0.000235672,0.0002287523,0.000200612,0.00003575287,7.96132e-7],"category_scores_gemma":[0.00005005664,0.00007653867,0.00005184772,0.00002758938,0.00006472073,0.001948638,0.00009897914,0.00003993916,0.00001256633],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000006522584,"about_ca_system_score_gemma":0.00001501795,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000008472509,"about_ca_topic_score_gemma":8.736743e-8,"domain_scores_codex":[0.9993078,0.00001886874,0.0002886669,0.0001310838,0.0001089532,0.0001446546],"domain_scores_gemma":[0.9992895,0.00001371608,0.0003547139,0.0002623238,0.00003199163,0.00004777959],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00542136,0.00003089813,0.0983441,0.005037002,0.0001646638,0.00002712556,0.1584519,0.01997107,0.3186322,0.349162,0.001994596,0.04276314],"study_design_scores_gemma":[0.01048432,0.002462263,0.2408702,0.001254939,0.0001411742,0.0001559017,0.01129259,0.2051742,0.5251111,0.0004030638,0.001097708,0.001552487],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9608458,6.824898e-7,0.03784596,0.00001769084,0.000106895,0.000205271,0.00006879502,0.00003044214,0.0008784618],"genre_scores_gemma":[0.9993112,2.559591e-7,0.0001452575,0.0001214219,0.00005991789,0.000007355895,0.000001504179,0.000006750102,0.0003463496],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3487589,"threshold_uncertainty_score":0.3121157,"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."}}