{"id":"W4401525317","doi":"10.26434/chemrxiv-2024-2cf6g-v3","title":"Structure-activity relationship of inositol thiophosphate analogs as allosteric activators of Clostridioides difficile toxin B","year":2024,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Clostridium difficile and Clostridium perfringens research","field":"Medicine","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"","keywords":"Proteolysis; Allosteric regulation; Toxin; Thiophosphate; Biochemistry; Extracellular; Proteases; Intracellular; Inositol; Biology; Chemistry; Clostridium difficile toxin A; Microbiology; Receptor; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001306409,0.0002674943,0.0001783856,0.0001214191,0.00008898525,0.0001415365,0.0001853948,0.0001893708,0.001673945],"category_scores_gemma":[0.0001272562,0.00008623478,0.0001378803,0.0001550374,0.00007182745,0.00008691406,0.00009777711,0.000281847,0.0002492368],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001940834,"about_ca_system_score_gemma":0.000139373,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007526858,"about_ca_topic_score_gemma":0.001049435,"domain_scores_codex":[0.9999341,0.00001498369,0.000005385682,0.00001134368,0.00001639849,0.00001781211],"domain_scores_gemma":[0.9999408,0.00001501056,0.00001302738,0.000003401087,0.000008511352,0.00001935632],"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":[0.0009593336,0.00019714,0.0002190371,0.0001110457,0.00001519117,0.00006853903,0.00002041094,0.0009665125,0.993537,0.0001152446,0.0001354545,0.003655157],"study_design_scores_gemma":[0.0001354164,0.002858514,0.001940393,0.000009707793,0.00002502702,0.000131347,0.00002080295,0.002305562,0.9895757,0.00003361878,0.002949711,0.00001415685],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9955515,0.00200955,0.000788324,0.00005422649,0.00001943225,0.00002995962,0.0002575812,0.00002853706,0.001260833],"genre_scores_gemma":[0.9954907,0.001071953,0.001595687,0.00005220339,0.000007383151,0.00002348823,0.0004041461,0.000009537921,0.001344913],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001673945,"threshold_uncertainty_score":0.005599856,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03408938484503609,"score_gpt":0.3183592738079808,"score_spread":0.2842698889629447,"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."}}