{"id":"W4404917915","doi":"10.1101/2024.11.27.625581","title":"CycleDesigner: Leveraging RFdiffusion and HighFold to Design Cyclic Peptide Binders for Specific Targets","year":2024,"lang":"en","type":"preprint","venue":"bioRxiv (Cold Spring Harbor Laboratory)","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"Tellabs (Canada)","funders":"","keywords":"Cyclic peptide; Peptide; Computer science; Chemistry; Biochemistry","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":[0.00156373,0.000953932,0.0007996911,0.0005220257,0.0002771267,0.0008238249,0.0007715725,0.000654112,0.002213529],"category_scores_gemma":[0.001080937,0.0003467891,0.0005636641,0.0003930572,0.0004463482,0.0007800608,0.0008279675,0.0009302239,0.0008375109],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006600778,"about_ca_system_score_gemma":0.0006910573,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005657409,"about_ca_topic_score_gemma":0.0006867144,"domain_scores_codex":[0.9995102,0.0001052999,0.00002805108,0.00009769561,0.0002020572,0.00005678327],"domain_scores_gemma":[0.9996452,0.0001230996,0.00006130887,0.0000636843,0.00005992064,0.00004682062],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0005408549,0.000258322,0.002169056,0.0003619408,0.00008139245,0.0002152156,0.00007656883,0.1279461,0.7380188,0.008166813,0.002239642,0.1199253],"study_design_scores_gemma":[0.00009694362,0.0005718938,0.0006477616,0.00001740076,0.00003766439,0.0003468448,0.00001457685,0.500356,0.4825647,0.003222431,0.01204485,0.00007886123],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.3614049,0.00163118,0.6252224,0.0002857228,0.0001079141,0.0002932596,0.0003842181,0.005163701,0.005506574],"genre_scores_gemma":[0.6390132,0.0009576019,0.3521124,0.0002753659,0.00003746628,0.0003488985,0.0008075899,0.0008610945,0.005586341],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.002213529,"threshold_uncertainty_score":0.008269906,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01678816459603113,"score_gpt":0.2215945670500138,"score_spread":0.2048064024539827,"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."}}