{"id":"W4402814327","doi":"10.26434/chemrxiv-2024-5058z-v2","title":"Thiophosphate Bioisosteres of Inositol Hexakisphosphate Enhances Binding Affinity and Residence Time to Bacterial Virulence Factors.","year":2024,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Phytase and its Applications","field":"Agricultural and Biological Sciences","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"","keywords":"Thiophosphate; Inositol; Residence; Virulence; Chemistry; Stereochemistry; Biochemistry; Receptor; Sociology; Organic chemistry; Demography","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":[0.0001229207,0.0002534368,0.0001498064,0.00009598262,0.0001133315,0.000212243,0.0001882865,0.0002642827,0.002997515],"category_scores_gemma":[0.0002512611,0.00008588281,0.0002351928,0.0001266033,0.0001489288,0.000187388,0.0001965777,0.0004637656,0.0005432236],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002167331,"about_ca_system_score_gemma":0.0001870691,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001015542,"about_ca_topic_score_gemma":0.001114081,"domain_scores_codex":[0.9998817,0.00001943241,0.000005686196,0.00002715481,0.00003951703,0.00002641616],"domain_scores_gemma":[0.9999069,0.0000273031,0.00002320798,0.00000946165,0.00001387174,0.00001929711],"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":[0.00009980443,0.00001300574,0.0001660173,0.00005087181,0.000005924701,0.00004031687,0.00001121737,0.00007188732,0.9977999,0.0001232011,0.00008898972,0.001528858],"study_design_scores_gemma":[0.00001045322,0.000166938,0.001895728,0.000006432349,0.00001083266,0.0002094137,0.00002472131,0.0007827691,0.9924891,0.00009026715,0.004308245,0.000005144265],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.986146,0.002845271,0.006620307,0.0003215596,0.00008899829,0.00002701498,0.0004088517,0.000128736,0.003413259],"genre_scores_gemma":[0.9897182,0.001155224,0.003967136,0.0001175465,0.0000129369,0.00001816668,0.0005776017,0.00003969228,0.004393416],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002997515,"threshold_uncertainty_score":0.01002771,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02310168629072958,"score_gpt":0.244875827016314,"score_spread":0.2217741407255844,"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."}}