{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004531339,0.0005070746,0.0008417243,0.001921852,0.0004337655,0.001192854,0.0005657144,0.001063622,0.009039395],"category_scores_gemma":[0.001632737,0.0002770815,0.0005721461,0.00165647,0.0003312227,0.000809256,0.0006696439,0.0005500089,0.00272729],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003389051,"about_ca_system_score_gemma":0.0002488094,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005149613,"about_ca_topic_score_gemma":0.0009689396,"domain_scores_codex":[0.9995248,0.00003868519,0.00002820068,0.0001284257,0.0001973139,0.00008254674],"domain_scores_gemma":[0.9992513,0.0002314209,0.0001769369,0.0001185457,0.00009656852,0.0001251508],"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":[0.002740572,0.0006892636,0.08995683,0.0009958182,0.0004538084,0.001209193,0.0001164367,0.01106747,0.6791798,0.007241275,0.004872783,0.2014767],"study_design_scores_gemma":[0.0003158313,0.001240902,0.120086,0.00009407823,0.001162973,0.007002512,0.0003943068,0.2472158,0.5701968,0.02831536,0.02384976,0.0001257141],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9528357,0.002112208,0.03370923,0.0001477389,0.00007637608,0.00006650069,0.001394221,0.001471216,0.008186905],"genre_scores_gemma":[0.9835027,0.0006641881,0.01131282,0.0000793078,0.00004148999,0.00002629996,0.001304723,0.0001127632,0.002955632],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009039395,"threshold_uncertainty_score":0.03023982,"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."}}