{"id":"W4400497719","doi":"10.1093/bioinformatics/btae405","title":"Geometric epitope and paratope prediction","year":2024,"lang":"en","type":"article","venue":"Bioinformatics","topic":"vaccines and immunoinformatics approaches","field":"Biochemistry, Genetics and Molecular Biology","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"H2020 European Research Council; Sapienza Università di Roma; European Commission","keywords":"Paratope; Epitope; Computer science; Computational biology; Artificial intelligence; Biology; Antibody; Genetics","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":[0.000662586,0.0009221929,0.0007484251,0.0006739615,0.0002517382,0.0007850732,0.001055772,0.0008014537,0.004350866],"category_scores_gemma":[0.002379366,0.0002566017,0.0005437544,0.0006505229,0.0006896888,0.001529544,0.001057211,0.001129877,0.002510734],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005653638,"about_ca_system_score_gemma":0.0007603437,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002469405,"about_ca_topic_score_gemma":0.001868676,"domain_scores_codex":[0.9995674,0.00009662828,0.00001619075,0.0001134998,0.0001488157,0.00005741159],"domain_scores_gemma":[0.99903,0.0003518819,0.0001717525,0.000163564,0.0002071464,0.00007577261],"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":[0.0004567949,0.0002301623,0.01019951,0.0006023215,0.00009071772,0.0002360447,0.00006124585,0.7280135,0.03608061,0.02300726,0.01112606,0.1898957],"study_design_scores_gemma":[0.00001675661,0.0000989445,0.001529675,0.00002158443,0.00001562488,0.0001485799,0.00002562359,0.9556763,0.01794546,0.02134288,0.003159107,0.00001948942],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2120362,0.002007206,0.7658036,0.001162103,0.0001329967,0.0001124118,0.002811471,0.005637751,0.01029622],"genre_scores_gemma":[0.8024392,0.001410135,0.1856757,0.0003939345,0.00009729237,0.00009514388,0.006036817,0.0004809299,0.003370854],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.004350866,"threshold_uncertainty_score":0.0145551,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01213177767484656,"score_gpt":0.2260804010779345,"score_spread":0.2139486234030879,"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."}}