{"id":"W3202938875","doi":"10.26434/chemrxiv.12899420.v1","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; Computational biology; Antifolate; Microbiology; Disease; Virology; Medicine; Methotrexate; Immunology; 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":[0.000223492,0.0003620783,0.0002808917,0.000215642,0.0002041741,0.0003135698,0.0003295851,0.0004243721,0.002290557],"category_scores_gemma":[0.0001989233,0.00008685424,0.0001765885,0.0001610435,0.000134384,0.0001454477,0.0002264385,0.0004371781,0.000922337],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000187899,"about_ca_system_score_gemma":0.0002302796,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005267848,"about_ca_topic_score_gemma":0.0004534046,"domain_scores_codex":[0.9998825,0.00002177063,0.000006320782,0.00001561569,0.00005074299,0.00002302114],"domain_scores_gemma":[0.9999588,0.000008840325,0.000005361708,0.00000386049,0.00001104211,0.00001204492],"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":[0.0005242389,0.0002971163,0.0004218294,0.0001786368,0.00002956247,0.0005145986,0.000044652,0.0007346007,0.9760116,0.0005407245,0.00187949,0.01882289],"study_design_scores_gemma":[0.0001633161,0.001118035,0.001533162,0.00001058766,0.00002234034,0.0007277778,0.00001524824,0.002514676,0.9669184,0.0001718069,0.02679495,0.000009639162],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9544742,0.01614415,0.01070714,0.00163795,0.0002832605,0.0002187125,0.00167066,0.000414813,0.01444921],"genre_scores_gemma":[0.9592704,0.008877004,0.0116442,0.0003421135,0.0001293458,0.0001042943,0.00313483,0.00007689671,0.016421],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002290557,"threshold_uncertainty_score":0.007662654,"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."}}