{"id":"W4231027126","doi":"10.26434/chemrxiv.12899420","title":"Identification of P218 as a Potent Inhibitor of Mycobacteria Ulcerans DHFR","year":2020,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Mycobacterium research and diagnosis","field":"Medicine","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium","funders":"Novartis Pharma; National Institute of Allergy and Infectious Diseases; Universidade Estadual de Campinas; Ministero dello Sviluppo Economico; Genome Canada; Fundação de Amparo à Pesquisa do Estado de São Paulo; Conselho Nacional de Desenvolvimento Científico e Tecnológico; Ontario Ministry of Economic Development and Innovation; Pfizer; European Federation of Pharmaceutical Industries and Associations; Merck KGaA; National Institutes of Health; U.S. Department of Health and Human Services","keywords":"Mycobacterium ulcerans; Buruli ulcer; Dihydrofolate reductase; Antibiotics; Biology; Microbiology; Antifolate; Antimicrobial; Enzyme; Medicine; Disease; Immunology; Methotrexate; Biochemistry; Antimetabolite; Pathology","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000231764,0.0004292029,0.0003489008,0.0002391532,0.000258648,0.0003345499,0.0004489299,0.0004674623,0.002013742],"category_scores_gemma":[0.0002137687,0.0001145037,0.0002261416,0.000211173,0.0001669736,0.0001653802,0.0002668211,0.0005740227,0.0009687712],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002535463,"about_ca_system_score_gemma":0.0002778118,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006515147,"about_ca_topic_score_gemma":0.0007505488,"domain_scores_codex":[0.9998729,0.00002429297,0.000008274431,0.0000211241,0.00004407652,0.00002933739],"domain_scores_gemma":[0.9999474,0.000008095344,0.000007769107,0.000005395872,0.00001305144,0.00001829803],"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":[0.0006175089,0.0003311411,0.0003944263,0.0001851262,0.00003145266,0.0005198845,0.00004403268,0.0006201511,0.9769173,0.0003220976,0.001753443,0.01826354],"study_design_scores_gemma":[0.0003485968,0.002358068,0.002354296,0.00001815177,0.00003960903,0.00137462,0.00002367853,0.002250502,0.9592799,0.0001698162,0.03176557,0.00001724499],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9623146,0.01540182,0.006531848,0.001496423,0.0003133755,0.0002513942,0.001639389,0.0003414552,0.0117096],"genre_scores_gemma":[0.9659666,0.009522125,0.007933023,0.0004318675,0.0001437875,0.0001120887,0.003483791,0.00006586653,0.01234087],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002013742,"threshold_uncertainty_score":0.006736636,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03058094785036828,"score_gpt":0.3110401063399872,"score_spread":0.2804591584896189,"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."}}