{"id":"W4403214303","doi":"10.2139/ssrn.4979436","title":"Classifying Covalent Protein Binders by Their Targeted Binding Site","year":2024,"lang":"en","type":"preprint","venue":"SSRN Electronic Journal","topic":"Machine Learning in Bioinformatics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"Toronto Metropolitan University","funders":"","keywords":"Covalent bond; Chemistry; Binding site; Nanotechnology; Computational biology; Biochemistry; Materials science; Biology; Organic chemistry","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":[0.001849317,0.0005364303,0.0003578991,0.0002075801,0.000240652,0.0002713042,0.0006439852,0.0006729064,0.00002755147],"category_scores_gemma":[0.0001266566,0.0004595329,0.0003900826,0.0001362554,0.00008114561,0.000005666802,0.001015054,0.007794281,0.00008353931],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007299102,"about_ca_system_score_gemma":0.003019019,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002721125,"about_ca_topic_score_gemma":0.00008759659,"domain_scores_codex":[0.9960603,0.000186773,0.0006181663,0.0005185998,0.0003679764,0.002248168],"domain_scores_gemma":[0.9987449,0.00001173143,0.0005139157,0.0004843512,0.0001027322,0.0001423772],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0003427466,0.000196974,0.00171419,0.001385453,0.004169184,0.00002109527,0.000834665,0.003140969,0.9299773,0.002944489,0.02255706,0.03271585],"study_design_scores_gemma":[0.005144289,0.005160549,0.0001492942,0.004270579,0.001226907,0.004000225,0.007166612,0.03296169,0.3044389,0.1540901,0.4726968,0.008694028],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9605761,0.02106574,0.01424147,0.001102465,0.0008347539,0.0006549156,0.0001909239,0.00009129164,0.001242362],"genre_scores_gemma":[0.9835486,0.006361437,0.0007561822,0.000148948,0.0007970631,0.00004711087,0.001212619,0.0001529757,0.006975102],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.6255384,"threshold_uncertainty_score":0.9997857,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006796499731547002,"score_gpt":0.2431635621746744,"score_spread":0.2363670624431274,"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."}}