{"id":"W4408199957","doi":"10.26434/chemrxiv-2024-5058z-v3","title":"Thiophosphate Bioisosteres of Inositol Hexakisphosphate Enhances Binding Affinity and Residence Time to Bacterial Virulence Factors.","year":2025,"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; Organic chemistry; Sociology; Demography; Receptor","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":[0.0001512675,0.0002724462,0.0004205344,0.00002620649,0.000167495,0.0001150076,0.0005760976,0.0002271416,0.0004833131],"category_scores_gemma":[0.00006957716,0.000124846,0.000094584,0.0003056465,0.0001029041,0.0001115956,0.0008988351,0.0002079477,0.00006468935],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002150913,"about_ca_system_score_gemma":0.00003423076,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004372025,"about_ca_topic_score_gemma":0.00007701811,"domain_scores_codex":[0.9985708,0.00004079507,0.0003622,0.0006016789,0.0001690702,0.0002554583],"domain_scores_gemma":[0.9990929,0.0002617061,0.0002472412,0.0001743948,0.00009279429,0.0001310132],"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":[0.00003261062,0.00005578369,0.001739979,0.00008182404,0.00002182443,6.707091e-7,0.0001249583,0.000001110233,0.9915611,0.00006231026,0.001052355,0.005265479],"study_design_scores_gemma":[0.00004568725,0.0000668553,0.04929777,0.0004200872,0.00002613245,2.774109e-7,0.00004895456,0.000005156255,0.9460364,0.0003900941,0.00340257,0.0002600099],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9973384,0.0004875399,0.000002308336,0.000581849,0.0001841211,0.0004270816,0.0003121547,0.00006042077,0.0006061802],"genre_scores_gemma":[0.998229,0.0004536077,0.0001845965,0.000084969,0.0001314239,0.00005758449,0.0001624296,0.00000131134,0.000695133],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04755779,"threshold_uncertainty_score":0.5291939,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02264806617283914,"score_gpt":0.2478502096858382,"score_spread":0.2252021435129991,"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."}}