{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001143069,0.0005570567,0.0009986436,0.0006670014,0.0001076289,0.0003403953,0.0002461566,0.0002212404,0.0007754638],"category_scores_gemma":[0.001611612,0.0001230869,0.0006836571,0.0007108573,0.0002311943,0.0002561563,0.0001751211,0.0003725521,0.0001058235],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002787075,"about_ca_system_score_gemma":0.0002795082,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001553342,"about_ca_topic_score_gemma":0.0008475719,"domain_scores_codex":[0.999617,0.000208319,0.00002613228,0.00003112069,0.00008742759,0.00002999208],"domain_scores_gemma":[0.9989575,0.0007581247,0.0001188923,0.00003531781,0.0001122774,0.0000179111],"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":[0.0004836212,0.0001922449,0.00293675,0.0002407079,0.0001039153,0.00006632631,0.00001849228,0.9461024,0.01579449,0.0008425949,0.0003306252,0.03288786],"study_design_scores_gemma":[0.00001234754,0.0002332476,0.0005301926,0.000003206524,0.0000146248,0.000007711766,0.00000532276,0.9943094,0.004638516,0.0001242526,0.000116691,0.000004512804],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9532517,0.001618227,0.04324529,0.0001427835,0.00004251738,0.00005582508,0.000463041,0.0001872184,0.0009933667],"genre_scores_gemma":[0.9942628,0.0001550009,0.005217307,0.000006269046,0.000005850882,0.00001710072,0.0001640205,0.000003316605,0.0001683669],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001553342,"threshold_uncertainty_score":0.006045222,"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."}}