{"id":"W2984098544","doi":"10.3390/molecules24224090","title":"[b]-Annulated Halogen-Substituted Indoles as Potential DYRK1A Inhibitors","year":2019,"lang":"en","type":"article","venue":"Molecules","topic":"Microbial Natural Products and Biosynthesis","field":"Medicine","cited_by":24,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Novartis Pharma; Technische Universität Braunschweig; Ministero dello Sviluppo Economico; Fonds Unique Interministériel; FP7 Food, Agriculture and Fisheries, Biotechnology; Deutsche Forschungsgemeinschaft; Ontario Ministry of Economic Development and Innovation; European Federation of Pharmaceutical Industries and Associations; Merck KGaA; Genome Canada; Fondation Jérôme Lejeune; Fundação de Amparo à Pesquisa do Estado de São Paulo; Diamond Light Source; European Commission; Pfizer","keywords":"DYRK1A; Chemistry; Kinase; IC50; Selectivity; Combinatorial chemistry; Pharmacology; Stereochemistry; Biochemistry; Biology; In vitro","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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.00009482507,0.0001919671,0.0002825085,0.0001253281,0.00006057183,0.00003441687,0.0001060692,0.0001744342,0.0007187926],"category_scores_gemma":[0.0001026374,0.0001434476,0.0001326404,0.0002349742,0.00006829616,0.00006626295,0.00006330856,0.000212699,0.001189137],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003569612,"about_ca_system_score_gemma":0.00007143302,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001137116,"about_ca_topic_score_gemma":0.000005112466,"domain_scores_codex":[0.9988375,0.00003465943,0.000234096,0.0003756308,0.0002312901,0.0002867882],"domain_scores_gemma":[0.9993597,0.00001199903,0.00006971361,0.0003178788,0.0001232793,0.0001174903],"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":[0.0001953126,0.0000859813,0.0006028165,0.00005022838,0.00007993443,0.0001301207,0.00004038325,0.00001821139,0.9922249,0.0002445785,0.00253883,0.003788662],"study_design_scores_gemma":[0.0009764017,0.0001481998,0.006179288,0.0001284592,0.00009997952,0.0001309115,0.00004427675,0.0000949724,0.9769027,0.00009603223,0.01495183,0.0002469533],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9929876,0.0007649115,0.0000141083,0.002482083,0.00050411,0.000434831,0.00001126227,0.0001212306,0.002679919],"genre_scores_gemma":[0.9962264,0.00004034616,0.0003869658,0.0008014404,0.000255985,7.510317e-7,0.00007821945,0.00002776715,0.00218207],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01532224,"threshold_uncertainty_score":0.9995885,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004946773137438237,"score_gpt":0.2156951172063777,"score_spread":0.2107483440689394,"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."}}