{"id":"W2025485735","doi":"10.1002/qsar.200810166","title":"QSAR Studies of HEPT Derivatives Using Support Vector Machines","year":2009,"lang":"en","type":"article","venue":"QSAR & Combinatorial Science","topic":"HIV/AIDS drug development and treatment","field":"Medicine","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"","keywords":"Support vector machine; Thymine; Quantitative structure–activity relationship; Kernel (algebra); Steric effects; Artificial neural network; Chemistry; Molecular descriptor; Human immunodeficiency virus (HIV); Artificial intelligence; Biological system; Computer science; Combinatorial chemistry; Stereochemistry; Mathematics; Biology; Biochemistry; Virology","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":[0.000552886,0.0001784655,0.0004081317,0.0001733024,0.0002541667,0.00002216458,0.0001977777,0.00003855135,0.00004606937],"category_scores_gemma":[0.0004400329,0.0001326488,0.00006942509,0.0008541289,0.0005231327,0.0002310875,0.00007605007,0.00008420287,0.00001586234],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002183486,"about_ca_system_score_gemma":0.0004969197,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001700076,"about_ca_topic_score_gemma":0.000001453478,"domain_scores_codex":[0.9982935,0.00003111275,0.0003047864,0.0003341314,0.0006640786,0.0003723711],"domain_scores_gemma":[0.9991159,0.00006493679,0.0001249685,0.0002387966,0.0002989637,0.0001563834],"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":[0.000608756,0.003006525,0.1880524,0.0002180529,0.0004726186,0.0003010585,0.01979176,0.00001477356,0.6651471,0.09870772,0.003708911,0.01997029],"study_design_scores_gemma":[0.01217945,0.003829348,0.2857326,0.0008717163,0.0005487072,0.0001180476,0.002425019,0.0007730018,0.6471928,0.03619156,0.008820718,0.001317053],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9945678,0.0003081363,0.00002279108,0.00123899,0.001317758,0.0002948462,0.000002419033,0.00004874222,0.002198496],"genre_scores_gemma":[0.9969355,0.00004209732,0.002125736,0.00008267898,0.0001522151,0.000003438385,0.000003053527,0.000007215651,0.0006480743],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.09768015,"threshold_uncertainty_score":0.540926,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04501514851798299,"score_gpt":0.3631538214113383,"score_spread":0.3181386728933553,"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."}}