{"id":"W2025092938","doi":"10.1016/j.bmc.2004.04.037","title":"Probing the aglycon binding site of a β-glucosidase: a collection of C-1-modified 2,5-dideoxy-2,5-imino-d-mannitol derivatives and their structure–activity relationships as competitive inhibitors","year":2004,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry","topic":"Carbohydrate Chemistry and Synthesis","field":"Chemistry","cited_by":38,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of British Columbia","funders":"","keywords":"Chemistry; Stereochemistry; Chemical synthesis; Combinatorial chemistry; Biochemistry; In vitro","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.000298042,0.0003770214,0.0005184158,0.00004697681,0.0003120961,0.00002550664,0.0002206886,0.0003411844,0.0002126794],"category_scores_gemma":[0.0007810775,0.0002885975,0.000130291,0.0004181727,0.0006345094,0.0001186106,0.0001148302,0.0006630127,0.000001197289],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002300232,"about_ca_system_score_gemma":0.0002693346,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002119909,"about_ca_topic_score_gemma":0.00002024295,"domain_scores_codex":[0.9982712,0.000053523,0.0005541441,0.0004616554,0.0003604366,0.0002990209],"domain_scores_gemma":[0.9980781,0.0005766977,0.0006073965,0.0004221784,0.0001752347,0.0001403928],"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":[0.0001806448,0.0001007199,0.0008220237,0.000797654,0.0001285979,0.000007389882,0.003849637,0.00001098915,0.993808,0.00004968408,0.00001773092,0.0002269849],"study_design_scores_gemma":[0.001002969,0.00003183634,0.0005083972,0.0007880897,0.0001195663,0.0001427065,0.006367113,0.00004274778,0.9903961,0.0002607173,0.00007807271,0.0002616342],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9951082,0.0005617285,0.00006995069,0.000265945,0.00004895903,0.0001628093,0.0001462108,0.00005519604,0.003580989],"genre_scores_gemma":[0.9994042,0.00007199949,0.00004037744,0.00001087302,0.000201461,0.00001926952,0.00006347851,0.00003455297,0.0001538206],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004295956,"threshold_uncertainty_score":0.9999566,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01825903779957333,"score_gpt":0.2242755517422593,"score_spread":0.206016513942686,"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."}}