{"id":"W4405940725","doi":"10.1073/pnas.2419883121","title":"Structure-guided design and synthesis of C22- and C32-modified FK520 analogs with enhanced activity against human pathogenic fungi","year":2024,"lang":"en","type":"article","venue":"Proceedings of the National Academy of Sciences","topic":"Signaling Pathways in Disease","field":"Biochemistry, Genetics and Molecular Biology","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Institute of Allergy and Infectious Diseases; National Science Foundation Graduate Research Fellowship Program; National Institute of General Medical Sciences; Canadian Institute for Advanced Research; National Institutes of Health; National Science Foundation","keywords":"Chemistry; Combinatorial chemistry","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":[0.0006997682,0.00009357925,0.0001246504,0.00007945571,0.0001195541,0.00002527689,0.000275851,0.0000899962,0.000001789869],"category_scores_gemma":[0.0003812966,0.00006373161,0.00003806764,0.0002400643,0.0008553166,0.00002356389,0.00009376976,0.0000726585,2.764968e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000009660202,"about_ca_system_score_gemma":0.00007168572,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000002565427,"about_ca_topic_score_gemma":1.369538e-7,"domain_scores_codex":[0.9990135,0.0000155593,0.000160055,0.0002844595,0.0004210568,0.0001052971],"domain_scores_gemma":[0.9995443,0.00008409624,0.000172135,0.00001286742,0.0001477621,0.0000387879],"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":[0.00003761968,0.00001720842,0.0006338304,0.0001095565,0.00003783048,1.54631e-8,0.00006197135,0.0001116232,0.9957834,0.001999048,0.00004460966,0.001163322],"study_design_scores_gemma":[0.0001119418,0.00007082926,0.009142202,0.0001200334,0.00002674242,0.000003616689,0.00003526576,0.0003756602,0.9858896,0.004141145,0.000007110454,0.00007584805],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9985151,0.0007114336,0.00005811008,0.000163282,0.000007608669,0.0001590705,0.00003790644,0.000005474049,0.0003420187],"genre_scores_gemma":[0.9983786,0.00008259183,0.001431197,0.00004032411,0.00003688832,0.000008722576,3.279169e-7,0.000005465387,0.00001585697],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00989376,"threshold_uncertainty_score":0.315145,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03549687481012414,"score_gpt":0.300705283360698,"score_spread":0.2652084085505738,"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."}}