{"id":"W2987782326","doi":"10.1002/cmdc.201900521","title":"Design and Analysis of the 4‐Anilinoquin(az)oline Kinase Inhibition Profiles of GAK/SLK/STK10 Using Quantitative Structure‐Activity Relationships","year":2019,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Quinazolinone synthesis and applications","field":"Chemistry","cited_by":27,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"University of North Carolina at Chapel Hill; Innovative Medicines Initiative; Canada Foundation for Innovation; Ontario Ministry of Economic Development and Innovation; Wellcome Trust; Genome Canada; AbbVie; Pfizer; Boehringer Ingelheim","keywords":"Kinome; Kinase; Cyclin-dependent kinase 9; Cyclin-dependent kinase 2; MAP kinase kinase kinase; MAP2K7; Threonine; Cyclin-dependent kinase 4; Protein kinase A; Chemistry; Serine; Computational biology; Biochemistry; Biology; Phosphorylation","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002571898,0.0001621626,0.0003811805,0.00009618586,0.0001059211,0.00001195685,0.0001280848,0.0001538558,0.0002871477],"category_scores_gemma":[0.0001833713,0.0001288725,0.0001466136,0.000636265,0.0001845117,0.0001017883,0.00007468998,0.0002204213,0.000001812999],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005403713,"about_ca_system_score_gemma":0.00006995783,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004226338,"about_ca_topic_score_gemma":0.00001081268,"domain_scores_codex":[0.9989051,0.00006493747,0.0003535552,0.0003067715,0.0002175476,0.0001520528],"domain_scores_gemma":[0.9983438,0.0004585775,0.0004782682,0.0005136058,0.0001582464,0.00004751667],"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":[0.0000394088,0.00009198949,0.01368836,0.0001445537,0.0002148806,1.540064e-7,0.000434775,0.0009096816,0.9830756,0.001188109,0.00000747432,0.0002050495],"study_design_scores_gemma":[0.0002268872,0.000009340396,0.01259952,0.00006950637,0.0005621522,0.000001446468,0.0003799477,0.02577741,0.9595524,0.0006855884,0.000007766823,0.0001280567],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9966901,0.00009409792,0.002312949,0.00008160337,0.00001455151,0.0002124265,0.0001358214,0.00001711423,0.0004413308],"genre_scores_gemma":[0.9943674,0.000008837656,0.005449792,0.000006566589,0.00001883659,0.00001351034,0.00003996018,0.00001721247,0.00007784866],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02486772,"threshold_uncertainty_score":0.5255267,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.05604186488672748,"score_gpt":0.2823892239915205,"score_spread":0.226347359104793,"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."}}