{"id":"W4414050615","doi":"10.1021/acscentsci.5c00699","title":"Covalent Ligand Electrophiles Are Differentially Activated by Proximity Effects Which Govern Latent Protein Reactivity","year":2025,"lang":"en","type":"article","venue":"ACS Central Science","topic":"Click Chemistry and Applications","field":"Chemistry","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"Bioinformatics Solutions (Canada); McMaster University; McMaster University Medical Centre; Juravinski Cancer Centre","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Electrophile; Covalent bond; Moiety; Ligand (biochemistry); Nucleophile; Residue (chemistry)","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0003614069,0.0002817712,0.0001198298,0.0001301254,0.0001433604,0.0004439743,0.0002281607,0.000310111,0.002180279],"category_scores_gemma":[0.0007489338,0.0001445862,0.0001576327,0.0001318022,0.0003876607,0.0006234712,0.0002291165,0.0005392,0.0002998858],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003526441,"about_ca_system_score_gemma":0.0001512977,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002340921,"about_ca_topic_score_gemma":0.0004170392,"domain_scores_codex":[0.9997992,0.00002956254,0.00001067045,0.0000589232,0.00005627035,0.00004539029],"domain_scores_gemma":[0.9996717,0.0001476654,0.0001055829,0.00002493907,0.00002522441,0.00002482946],"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":[0.00007541129,0.0000117614,0.0003209435,0.00003339145,0.000004161616,0.00002412783,0.00002320811,0.0004139201,0.9968724,0.0005741948,0.00004501421,0.001601498],"study_design_scores_gemma":[0.000004887984,0.0001097646,0.001754878,0.000003336531,0.000004094578,0.0000375924,0.00001908975,0.00224794,0.9951924,0.0001440163,0.0004759166,0.000005980961],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9803011,0.0003898228,0.01711275,0.00006142809,0.00001044562,0.00002623735,0.0001505599,0.000145914,0.001801818],"genre_scores_gemma":[0.9934977,0.0003330986,0.004373358,0.00004435922,0.000004608089,0.00004962788,0.0001752102,0.00003514636,0.00148679],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002180279,"threshold_uncertainty_score":0.007293761,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005821530454612876,"score_gpt":0.2289700375851742,"score_spread":0.2231485071305614,"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."}}