{"id":"W3212741976","doi":"10.26434/chemrxiv.7791464.v1","title":"Development of Pyridine-Based Inhibitors for the Human Vaccinia-Related Kinases 1 and 2","year":2019,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Biotin and Related Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium","funders":"","keywords":"Kinase; Vaccinia; Chemistry; Pyridine; Scaffold; Structure–activity relationship; Computational biology; Biochemistry; Cell biology; Biology; Computer science; In vitro; Medicinal 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003328457,0.000464854,0.0004143426,0.0002981173,0.0001391914,0.0003683413,0.0006038573,0.0003520061,0.001484257],"category_scores_gemma":[0.0002039204,0.0002208558,0.0002954637,0.0002087276,0.0001653584,0.0002544083,0.0002840317,0.0006216058,0.0004595314],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000461431,"about_ca_system_score_gemma":0.0003830204,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008036438,"about_ca_topic_score_gemma":0.001892845,"domain_scores_codex":[0.9998916,0.00001930154,0.000006341798,0.0000209315,0.00003511898,0.00002659823],"domain_scores_gemma":[0.9999566,0.000008153427,0.000008042737,0.000005322616,0.000005831212,0.00001606875],"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":[0.0009626578,0.0004928954,0.0003470744,0.0003482505,0.00006943422,0.0003221088,0.00009703612,0.004405917,0.9408905,0.002150415,0.0008840174,0.04902971],"study_design_scores_gemma":[0.0008061867,0.004623856,0.001774078,0.00004029143,0.00007371839,0.0007164413,0.00003530054,0.007445017,0.9576395,0.0003595591,0.02645297,0.00003305428],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9375653,0.021025,0.02464422,0.0004472702,0.0001581207,0.000650888,0.001352815,0.0004911352,0.01366522],"genre_scores_gemma":[0.9552642,0.01082925,0.02343342,0.0001928294,0.00002834069,0.0002094443,0.001723552,0.00004395176,0.008274895],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001484257,"threshold_uncertainty_score":0.004965305,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0173762314539321,"score_gpt":0.2622588244153848,"score_spread":0.2448825929614527,"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."}}