{"id":"W3180522216","doi":"10.5267/j.ccl.2021.5.003","title":"Octyl 6-O-hexanoyl-β-D-glucopyranosides: Synthesis, PASS, antibacterial, in silico ADMET, and DFT studies","year":2021,"lang":"en","type":"article","venue":"Current Chemistry Letters","topic":"Antioxidant Activity and Oxidative Stress","field":"Medicine","cited_by":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"University of Chittagong","keywords":"Chemistry; Acetone; Extraction (chemistry); Chromatography; High-performance liquid chromatography; Molar absorptivity; Pigment; Organic chemistry","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002752996,0.0004064851,0.0004283605,0.0002180249,0.0001797635,0.0002211198,0.0002730213,0.00023422,0.002002599],"category_scores_gemma":[0.0002139077,0.0001487368,0.0002292102,0.0003642305,0.0001403889,0.0002299619,0.0002412259,0.000771245,0.0006947732],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001987656,"about_ca_system_score_gemma":0.0002043662,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004467149,"about_ca_topic_score_gemma":0.0008423264,"domain_scores_codex":[0.9999468,0.00001040666,0.000003370156,0.000009475474,0.00001241104,0.00001751011],"domain_scores_gemma":[0.9999382,0.00001069836,0.00001231538,0.000009531576,0.00001160603,0.0000176474],"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":[0.0003880511,0.0006848464,0.0003337578,0.001276229,0.00004291299,0.0005850441,0.0002435698,0.009862917,0.9291918,0.00697287,0.001432778,0.04898526],"study_design_scores_gemma":[0.00006731581,0.002917163,0.0008498104,0.00005840963,0.00004521374,0.0002288123,0.00006266958,0.006488332,0.9634154,0.0008157212,0.02500929,0.00004180574],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9400578,0.01009946,0.02988689,0.0004738131,0.0001732857,0.0004766673,0.001429955,0.0002596604,0.01714265],"genre_scores_gemma":[0.9610114,0.009101735,0.02298535,0.0001587427,0.0000225305,0.0003040843,0.0005968162,0.000062466,0.005756814],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002002599,"threshold_uncertainty_score":0.006699383,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03907062865709533,"score_gpt":0.3278978770086703,"score_spread":0.288827248351575,"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."}}