{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002229411,0.0001194164,0.0003266855,0.000006841492,0.0001701502,0.000009892102,0.0007004127,0.00002392375,0.0002643682],"category_scores_gemma":[0.0001108226,0.0000924619,0.0005807204,0.0003917944,0.0002426084,0.00003291069,0.0004740217,0.0005696187,6.449274e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002849234,"about_ca_system_score_gemma":0.0001059519,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002000646,"about_ca_topic_score_gemma":9.246294e-8,"domain_scores_codex":[0.9986754,0.00001820044,0.0004566031,0.0001489507,0.0005039005,0.0001969137],"domain_scores_gemma":[0.9984973,0.00009829326,0.0008603806,0.0003134758,0.00009661556,0.000133936],"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":[0.00006961683,0.0002344419,0.001526491,0.00004471497,0.00008460737,0.000001743749,0.0003974425,0.000307607,0.9884043,0.00001433368,0.008583928,0.0003307966],"study_design_scores_gemma":[0.0003007425,0.00004169102,0.000113925,0.00002957924,0.00004810623,0.0001341853,0.001541193,0.0001346021,0.9739235,0.0001519016,0.02346568,0.0001148768],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9958088,0.00005777697,0.0002011905,0.003038483,0.00002946937,0.00004914042,0.0001003289,0.00001118044,0.0007035903],"genre_scores_gemma":[0.9961457,0.000005411588,0.002751326,0.0004472264,0.0002080392,0.00001971351,0.000005133402,0.00001460404,0.0004028878],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01488175,"threshold_uncertainty_score":0.3770487,"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."}}