{"id":"W2064313193","doi":"10.1002/jat.870","title":"Discovery and design of novel inhibitors of botulinus neurotoxin A: targeted ‘hinge’ peptide libraries","year":2003,"lang":"en","type":"article","venue":"Journal of Applied Toxicology","topic":"Biochemical and Structural Characterization","field":"Biochemistry, Genetics and Molecular Biology","cited_by":16,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Chemistry; Linker; Peptide; Stereochemistry; Amino acid; Docking (animal); Biochemistry; Tripeptide; Protease; Enzyme","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001332399,0.0001093557,0.000263489,0.00005125139,0.00002121264,0.000009871039,0.00009598812,0.0001793799,0.000005530148],"category_scores_gemma":[0.0001114243,0.00008729991,0.00005855896,0.00007295853,0.0001629834,0.00001259183,0.00004284823,0.0001177789,7.5098e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000004762309,"about_ca_system_score_gemma":0.00008032234,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":4.63242e-7,"about_ca_topic_score_gemma":2.623209e-7,"domain_scores_codex":[0.9991978,0.00003709209,0.0004350555,0.0001247808,0.00008736306,0.000117882],"domain_scores_gemma":[0.9992916,0.00003528254,0.0004686174,0.00008713066,0.00006764148,0.00004975751],"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":[0.0004881865,0.00007226164,0.0003191688,0.00002842401,0.00004998094,0.000001501958,0.00004559019,0.0001005759,0.9976733,0.0009086571,0.0001234181,0.0001889389],"study_design_scores_gemma":[0.0007751207,0.0005740013,0.002156143,0.000009017548,0.00002585383,0.00005960674,0.0000418374,0.0000150261,0.9952844,0.0005143877,0.0004624114,0.000082169],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9921765,0.0002666491,0.007116967,0.00005507532,0.0001215114,0.0001220253,0.000009675081,0.000001526328,0.0001301133],"genre_scores_gemma":[0.9928221,0.00007943433,0.006848408,0.0001114156,0.00009434011,0.000002334798,0.000007941092,0.00001005543,0.00002397609],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002388871,"threshold_uncertainty_score":0.3559987,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01121461241430637,"score_gpt":0.2108036757357151,"score_spread":0.1995890633214087,"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."}}