{"id":"W4220931691","doi":"10.1021/jacs.1c13568","title":"Covalent Proximity Scanning of a Distal Cysteine to Target PI3Kα","year":2022,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Click Chemistry and Applications","field":"Chemistry","cited_by":55,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Victoria","funders":"Swiss Cancer Research Foundation; Michael Smith Health Research BC; Cancer Research Society; Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung; McGill University; European Federation of Pharmaceutical Industries and Associations; Peter und Traudl Engelhorn Stiftung; Universität Basel; H2020 Health; National Science Foundation","keywords":"Chemistry; Covalent bond; Linker; Cysteine; Electrophile; Small molecule; Biophysics; Combinatorial chemistry; Bioorthogonal chemistry; Biochemistry; Stereochemistry; Enzyme; Click chemistry; Organic 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":[0.0002534169,0.0004157266,0.0001361176,0.0001330662,0.0002058513,0.0002586914,0.0003021562,0.0004951396,0.003681526],"category_scores_gemma":[0.0003443121,0.0001151958,0.0001872633,0.000211516,0.0002688997,0.0003004897,0.0002784081,0.0007031487,0.0008780445],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002908555,"about_ca_system_score_gemma":0.0002953432,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003845275,"about_ca_topic_score_gemma":0.0007146861,"domain_scores_codex":[0.9998776,0.00001853707,0.00000617707,0.00004225373,0.00002751384,0.00002790991],"domain_scores_gemma":[0.9998854,0.00002570539,0.00002754364,0.00002234672,0.00001698984,0.00002185712],"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":[0.0001101395,0.00003543284,0.0002488123,0.00008526542,0.00001262296,0.0001113255,0.0000241761,0.0002004644,0.991255,0.00187636,0.0004095453,0.005630787],"study_design_scores_gemma":[0.00002386791,0.0001607346,0.0007367191,0.000006665544,0.00001345101,0.0003366247,0.00001722336,0.0005840978,0.9875443,0.0003561567,0.01021333,0.00000683578],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8626347,0.003912949,0.1042284,0.0007368322,0.000374473,0.0003387294,0.001080839,0.0006806857,0.02601231],"genre_scores_gemma":[0.9723219,0.001049152,0.01715583,0.0002559485,0.00002626114,0.0001042186,0.0005432576,0.00005487099,0.008488578],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003681526,"threshold_uncertainty_score":0.01231599,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01065029345058913,"score_gpt":0.2586288423593592,"score_spread":0.2479785489087701,"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."}}