{"id":"W4410133744","doi":"10.1007/978-3-031-88653-9_17","title":"Identifying NovelSARS-Cov-2 Inhibitors Using a Structure-Based Virtual Screening Approach","year":2025,"lang":"en","type":"book-chapter","venue":"Lecture notes in networks and systems","topic":"SARS-CoV-2 and COVID-19 Research","field":"Medicine","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"Artificial Intelligence in Medicine (Canada)","funders":"","keywords":"Virtual screening; Computer science; Computational biology; Medicine; Biology; Bioinformatics; Drug discovery","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":["metaepi_narrow","research_integrity"],"consensus_categories":[],"category_scores_codex":[0.0006318037,0.0008203151,0.001508494,0.0009282712,0.0002387691,0.0003284074,0.000271396,0.001612165,0.000004017898],"category_scores_gemma":[0.0001582053,0.0007085078,0.0003033984,0.000368862,0.0002182475,0.00008379004,0.0002049906,0.002273039,0.000001234229],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003333621,"about_ca_system_score_gemma":0.0004187748,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005705748,"about_ca_topic_score_gemma":0.0001536663,"domain_scores_codex":[0.9961857,0.0001125569,0.0009573913,0.001121446,0.0008530086,0.0007698769],"domain_scores_gemma":[0.9981371,0.000569316,0.0003472727,0.0006714793,0.0002009202,0.00007398063],"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":[0.009237768,0.0007449547,0.07718863,0.03762057,0.007182925,0.005281836,0.003872352,0.439065,0.09248156,0.02685646,0.002930828,0.2975371],"study_design_scores_gemma":[0.003450625,0.0002728247,0.00005735341,0.01171432,0.000449734,0.0002865755,0.00004689437,0.9477453,0.002081839,0.0006379476,0.03200356,0.00125302],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.01546844,0.03230474,0.9316303,0.00005747454,0.002657296,0.002971311,0.00007268086,0.0001918484,0.01464593],"genre_scores_gemma":[0.9849385,0.00002165154,0.001788333,0.008557668,0.003801391,0.00004048712,0.00009934515,0.0002106956,0.0005419023],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.9694701,"threshold_uncertainty_score":0.999684,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.05525381895934953,"score_gpt":0.318204872367119,"score_spread":0.2629510534077694,"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."}}