{"id":"W4248064768","doi":"10.26434/chemrxiv.5483368.v1","title":"How Reactive are Druggable Cysteines in Protein Kinases?","year":2017,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Click Chemistry and Applications","field":"Chemistry","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland","funders":"","keywords":"Druggability; Kinase; Molecular dynamics; Cysteine; Chemistry; Posttranslational modification; Reactivity (psychology); Covalent bond; Biochemistry; Computational biology; Enzyme; Biology; Computational chemistry; Medicine; 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"],"consensus_categories":[],"category_scores_codex":[0.0001122427,0.0004579767,0.000554087,0.00004353372,0.0001715767,0.0003209006,0.001028653,0.0007298082,0.0002072239],"category_scores_gemma":[0.0004243336,0.0004947055,0.0002103666,0.00006770199,0.0001603855,0.0001117747,0.0007470875,0.001213416,0.00003485109],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002083551,"about_ca_system_score_gemma":0.0001499983,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001629567,"about_ca_topic_score_gemma":0.00005279398,"domain_scores_codex":[0.9981186,0.000009508237,0.0002998375,0.0009533883,0.0002264969,0.0003921665],"domain_scores_gemma":[0.9967613,0.00005779256,0.0007550241,0.00216336,0.000128177,0.0001343763],"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":[0.00003153412,0.000300013,0.001682046,0.00229474,0.00006381285,0.00007314925,0.0001522485,0.00001226981,0.9922385,0.0001230722,0.002369223,0.0006593579],"study_design_scores_gemma":[0.0003875995,0.000001754527,0.0001879106,0.001457835,0.00003060804,0.00000619999,0.0002996044,0.00005010067,0.9650097,0.003493422,0.02855478,0.0005204658],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9270412,0.0003680146,0.00000886521,0.002782468,0.00005670913,0.0003255252,0.00008858056,0.0001609504,0.06916765],"genre_scores_gemma":[0.9438742,0.00003834983,0.0001355492,0.00001473285,0.0006415363,0.001571875,0.0003931155,0.00005725305,0.05327344],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02722881,"threshold_uncertainty_score":0.9997504,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03218000238863566,"score_gpt":0.2739561127422004,"score_spread":0.2417761103535647,"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."}}