{"id":"W4409324561","doi":"10.1063/4.0000650","title":"Structure-based chemical probe development of the PWWP domain containing proteins","year":2025,"lang":"en","type":"article","venue":"Structural Dynamics","topic":"Peptidase Inhibition and Analysis","field":"Medicine","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Domain (mathematical analysis); Chemistry; Crystallography; Biophysics; Computer science; Biology","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":[0.000572054,0.0006060734,0.0002887743,0.0003050803,0.0002541198,0.0003114865,0.0007106043,0.0008693127,0.001162581],"category_scores_gemma":[0.0003238308,0.0003639799,0.0004410048,0.0003082587,0.0004225306,0.0005512402,0.0004785513,0.001242149,0.0007466005],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005043292,"about_ca_system_score_gemma":0.000278405,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003876315,"about_ca_topic_score_gemma":0.0004598208,"domain_scores_codex":[0.9996741,0.00005723239,0.00001217874,0.0001075507,0.0001038606,0.00004503078],"domain_scores_gemma":[0.9998782,0.00003041895,0.00002273928,0.00001650146,0.00003142879,0.00002062003],"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":[0.00002452283,0.00003307933,0.00008180968,0.000118661,0.00000757479,0.00003532692,0.00002600493,0.0003655172,0.9927847,0.0009333097,0.0001650328,0.005424505],"study_design_scores_gemma":[0.00001120026,0.0001315816,0.0002336127,0.000004964261,0.000008066771,0.0000657796,0.000009591211,0.001934166,0.990746,0.0001053199,0.00674176,0.000008042084],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5993806,0.02418688,0.3569538,0.00119075,0.0003069726,0.001039598,0.001221137,0.0009600198,0.01476035],"genre_scores_gemma":[0.7664005,0.01319897,0.204938,0.0005830636,0.00007427428,0.0009651814,0.002022649,0.000113237,0.0117042],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001162581,"threshold_uncertainty_score":0.003889263,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005557375793415273,"score_gpt":0.251498603793711,"score_spread":0.2459412280002957,"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."}}