{"id":"W4413112431","doi":"10.1021/acs.jcim.5c00614","title":"P4ward: An Automated Modeling Platform for Protac Ternary Complexes","year":2025,"lang":"en","type":"article","venue":"Journal of Chemical Information and Modeling","topic":"Protein Degradation and Inhibitors","field":"Biochemistry, Genetics and Molecular Biology","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Artificial Intelligence in Medicine (Canada); University of Waterloo","funders":"","keywords":"Ternary operation; Computer science; Ternary complex; Chemistry; Programming language; Biochemistry","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":[0.0002229165,0.00008526334,0.0001237939,0.00008829754,0.00005468466,0.00005992084,0.00009840201,0.0001051628,0.000001471198],"category_scores_gemma":[0.0000944109,0.00007244524,0.00006512787,0.00004085582,0.00002093094,0.0001007048,0.000037109,0.00008742139,2.897038e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001485049,"about_ca_system_score_gemma":0.00007928471,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000003838308,"about_ca_topic_score_gemma":3.537477e-7,"domain_scores_codex":[0.9992354,0.000006629489,0.0004960278,0.00006193089,0.00009657216,0.0001034402],"domain_scores_gemma":[0.9994201,0.000004993794,0.0001457566,0.00007580197,0.0002851122,0.00006824235],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0009624879,0.00009997637,0.00004992685,0.0002525784,0.0001237017,3.633934e-7,0.0003342939,0.1064723,0.8624237,0.001830217,0.002491512,0.02495892],"study_design_scores_gemma":[0.0007241527,0.00007942368,5.926285e-7,0.00005053044,0.00001087652,0.00001348917,0.0001613007,0.8585392,0.1380585,0.0004402222,0.001848456,0.00007320084],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6429186,0.0001125711,0.356355,0.000199262,0.00006799623,0.0001481098,0.000005066153,0.00001629695,0.0001770834],"genre_scores_gemma":[0.9896822,0.00004929469,0.009513642,0.0005389889,0.000101366,0.000009320556,0.00008645933,0.000004541077,0.0000141612],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.7520669,"threshold_uncertainty_score":0.2954231,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02310105057115991,"score_gpt":0.3086460440851563,"score_spread":0.2855449935139964,"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."}}